SCHEMBL6571324

SCHEMBL6571324

CNc1ccc(N)cc1-c1cc(O)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CA14 Q9ULX7 3/20 0.34
CASP1 P29466 3/20 0.34
CYP3A4 P08684 2/20 0.34
THRB P10828 2/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
RECQL P46063 1/20 0.33
TNIK Q9UKE5 3/20 0.33

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
SCHEMBL6572302 0.89 PRKCI (0.39) PRKCIPDE10AALDH1A1CASP1CYP3A4
SCHEMBL6571007 0.85 PDE10A (0.41) PRKCIPDE10AALDH1A1CA14CASP1
SCHEMBL6574646 0.84 NR3C1 (0.38) ALDH1A1HSD17B10TNIKGAAKDM4E
SCHEMBL6572102 0.84 ALDH1A1 (0.48) PDE10AALDH1A1CA14CASP1CYP3A4
SCHEMBL6572813 0.81 PRKCI (0.34) PRKCIALDH1A1CASP1ALOX15HSD17B10
SCHEMBL6572165 0.79 USP7 (0.43) PRKCIPDE10AALDH1A1CA14CASP1
SCHEMBL6572266 0.79 PDE10A (0.50) PRKCIPDE10AALDH1A1CASP1CYP3A4
SCHEMBL6572440 0.79 TSHR (0.45) PRKCIPDE10AALDH1A1CASP1CYP3A4
SCHEMBL22845775 0.78 MAPT (0.47) PRKCIALDH1A1THRBHSD17B10TDP1
SCHEMBL6573377 0.78 ALDH1A1 (0.38) ALDH1A1CA14CASP1CYP3A4THRB

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 4 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
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