SCHEMBL6571858

SCHEMBL6571858

CNc1ccc(N)c(-c2cc(N)cc(N)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.32
MAP4K4 O95819 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RECQL P46063 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
HIF1A Q16665 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
SCHEMBL6572951 0.88 ALDH1A1 (0.36) ALDH1A1RECQLHSD17B10CYP3A4TDP1
SCHEMBL3790061 0.85 HTR6 (0.39) HTR6ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL3789189 0.84 MAP4K4 (0.46) MAP4K4RECQLCYP3A4
SCHEMBL6572762 0.81 CYP3A4 (0.39) ALDH1A1RECQLHSD17B10CYP3A4TDP1
SCHEMBL3788714 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6570907 0.80 HTR6 (0.37) HTR6ALDH1A1RECQLCA12CA1
SCHEMBL6570748 0.79 TDP1 (0.39) ALDH1A1CA1CA2HSD17B10CYP3A4
SCHEMBL6571412 0.78 APP (0.47) ALDH1A1RECQLHSD17B10CYP3A4TDP1
SCHEMBL6573189 0.78 CYP3A4 (0.38) MAP4K4ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6573195 0.77 HTR6 (0.46) HTR6MAP4K4ALDH1A1CYP3A4TDP1

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