SCHEMBL1801928

SCHEMBL1801928

COc1cccc(Cn2ncc(N)c2N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
CMA1 P23946 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LPO P22079 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AURKA O14965 1/20 0.47

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
Sulfuric Acid SCHEMBL9089708 0.92 MEN1 (0.52) MEN1KMT2AADORA2AADORA1CMA1
SCHEMBL6003862 0.85 TSHR (0.53) MEN1KMT2AADORA2AADORA1ALDH1A1
Hydrochloric Acid SCHEMBL6757406 0.83 TSHR (0.51) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL1801455 0.82 NPBWR1 (0.54) CMA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL25301075 0.81 KMT2A (0.54) MEN1KMT2AADORA2AADORA1CMA1
SCHEMBL4805775 0.81 ALDH1A1 (0.55) ADORA2AADORA1ALDH1A1POLBMAPT
SCHEMBL1491056 0.78 MEN1 (0.57) MEN1KMT2AADORA2AADORA1CMA1
SCHEMBL4802151 0.78 TSHR (0.50) MEN1KMT2AADORA2AADORA1KDM4E
SCHEMBL25426891 0.78 NR1H2 (0.55) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL3379521 0.78 EGFR (0.57) MEN1KMT2AADORA2AADORA1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 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-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
EP-1180008-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-06-07 EP 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-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
EP-1180008-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2002-02-20 EP claimed
EP-1166748-A2 Agent and process for colouring keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP claimed
WO-2001070182-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-09-27 WO claimed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
US-5785717-A Composition for the oxidation dyeing of keratin fibers, comprising a diaminopyrazole derivative and a heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-07-28 US claimed
EP-0728464-B1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process OREAL (FR) 1997-07-30 EP claimed
EP-0728464-A1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process L'OREAL (FR) 1996-08-28 EP claimed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US claimed