SCHEMBL6572165

SCHEMBL6572165

CNc1ccc(N)cc1-c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.43
TNIK Q9UKE5 2/20 0.43
THRB P10828 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA3 P07451 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CA6 P23280 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
APP P05067 2/20 0.39
PDE10A Q9Y233 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3785429 0.89 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10PDE10ATP53
SCHEMBL6571887 0.86 PDE10A (0.38) TNIKTHRBALDH1A1CA3CYP3A4
SCHEMBL6572329 0.84 ACHE (0.43) ALDH1A1CYP3A4CASP1HSD17B10PDE10A
SCHEMBL6574186 0.83 PDE10A (0.36) TNIKTHRBALDH1A1CA3CYP3A4
SCHEMBL6573243 0.82 ALDH1A1 (0.45) TNIKALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL3785718 0.81 MAOA (0.42) ALDH1A1CYP3A4ALOX15HSD17B10TP53
SCHEMBL6573673 0.81 CA12 (0.46) ALDH1A1CYP3A4CA14DYRK1ADYRK1B
SCHEMBL6571007 0.81 PDE10A (0.41) TNIKTHRBALDH1A1CA3CYP3A4
SCHEMBL6574785 0.80 MAPT (0.45) THRBALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL6574216 0.79 MAP4K4 (0.36) ALDH1A1CYP3A4ALOX15CASP1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed