SCHEMBL2929987

SCHEMBL2929987

Cc1cc(NCCCn2cc[n+](CCO)c2)n2ncc(N)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
RAB9A P51151 9/20 0.47
NPC1 O15118 9/20 0.47
MAPT P10636 7/20 0.47
HSD17B10 Q99714 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 12/20 0.45
HPGD P15428 10/20 0.45
LMNA P02545 4/20 0.45
CLK1 P49759 1/20 0.45
HTT P42858 3/20 0.40
USP2 O75604 1/20 0.40
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38

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 SCHEMBL5473424 0.99 KDM4E (0.48) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6853820 0.99 KDM4E (0.46) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6853812 0.98 KDM4E (0.47) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL7004934 0.85 KDM4E (0.43) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6850196 0.84 KDM4E (0.45) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL3946877 0.78 KMT2A (0.50) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL26912937 0.77 KDM4E (0.70) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL8150702 0.77 KMT2A (0.49) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6266640 0.77 KDM4E (0.45) KDM4EMEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL6266636 0.75 KDM4E (0.45) KDM4EMEN1KMT2ARAB9ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 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
EP-1147109-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-04-02 EP claimed
EP-1147109-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2001-10-24 EP claimed
WO-2000043396-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP disclosed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP disclosed
EP-1147109-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-04-02 EP disclosed
EP-1147109-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2001-10-24 EP disclosed
WO-2000043396-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS ET DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed