SCHEMBL33797

SCHEMBL33797

COCCn1ncc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.36
MPO P05164 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 2/20 0.33
LRRK2 Q5S007 1/20 0.33
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HCAR3 P49019 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5414502 0.98 ALDH1A1 (0.36) ALDH1A1TDP1LMNAALOX15MPO
Hydrochloric Acid SCHEMBL6282164 0.98 ALDH1A1 (0.36) ALDH1A1TDP1LMNAALOX15MPO
SCHEMBL5423866 0.90 SMN1; SMN2 (0.32) ALDH1A1TDP1LMNAALOX15KDM4E
SCHEMBL5421688 0.89 ALDH1A1 (0.39) ALDH1A1TDP1LMNAALOX15KMT2A
SCHEMBL5418741 0.87 ALDH1A1 (0.35) ALDH1A1TDP1LMNAALOX15KDM4E
SCHEMBL14445349 0.86 ALDH1A1 (0.34) ALDH1A1TDP1LMNAALOX15KDM4E
SCHEMBL5423811 0.86 ALDH1A1 (0.34) ALDH1A1TDP1LMNAALOX15KDM4E
SCHEMBL3941204 0.84 MGMT (0.33) ALDH1A1TSHR
SCHEMBL5423597 0.83 MAP3K12 (0.30) ALDH1A1TDP1LMNA
SCHEMBL5021082 0.83 LRRK2 (0.40) ALDH1A1TDP1LMNAALOX15MPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 747 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP claimed
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1488782-B1 Dyeing composition comprising 4,5-diamino-1-(beta-hydroxyethyl)-1h-pyrazole or 4,5-diamino-1-(beta-methoxyethyl) -1h-pyrazole as oxidation bases and 2,6-bis-(beta-hydroxyethyl)-aminotoulene as a coupling agent OREAL (FR) 2008-08-13 EP claimed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US claimed
EP-1488781-B1 Dyeing composition comprising 4,5-diamino-1-(beta-hydroxyethyl)-1H-pyrazole or 4,5-diamino-1-(beta-methoxyethyl)-1H-pyrazole as oxidation base and 6-hydroxyindole as coupling agent OREAL (FR) 2007-01-03 EP claimed
EP-1488783-B1 Dyeing composition comprising 4,5-diamino-1-(beta-hydroxyethyl)-1H-pyrazole or 4,5-diamino-1-(beta-methoxyethyl)-1H-pyrazole as oxidation base and 2,6-dihydroxy-3,4-dimethylpyridine as coupling agent OREAL (FR) 2006-11-22 EP claimed
US-7135046-B2 Dye composition comprising at least one oxidation base chosen from 4,5-diamino-1-(β-hydroxyethyl)-1H-pyrazole and 4,5-diamino-1-(β-methoxyethyl)-1H-pyrazole and the addition salts thereof and at least one coupler chosen from 6-hydroxyindole and the addition salts thereof L'OREAL S.A. (FR) 2006-11-14 US claimed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
US-7004979-B2 Dyeing composition comprising at least one diaminopyrazole oxidation base and at least one pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2006-02-28 US claimed
EP-1345579-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2003-09-24 EP claimed
EP-1345580-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2003-09-24 EP claimed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP claimed
WO-2003028686-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE AND A PYRAZOLO-AZOLE COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
WO-2003028687-A2 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE OXIDATION BASE AND AN ENZYMATIC TYPE OXIDIZING AGENT L'OREAL-D.I.P.I. (FR) 2003-04-10 WO claimed
WO-2003028688-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A HETEROCYCLIC OXIDATION BASE AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051373-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051371-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed