SCHEMBL6572075

SCHEMBL6572075

COCCNc1ccc(N)cc1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
SRC P12931 1/20 0.42
NCF1 P14598 2/20 0.40
PIK3CG P48736 1/20 0.38
PIK3CA P42336 1/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA14 Q9ULX7 1/20 0.37
FYN P06241 2/20 0.36
MAPT P10636 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRM3 P20309 3/20 0.36
HCAR3 P49019 1/20 0.35

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
SCHEMBL6570689 0.91 PTGER4 (0.48) PTGER4NCF1ALOX15ALDH1A1FYN
SCHEMBL6571173 0.88 PTGER4 (0.49) PTGER4NCF1ALOX15ALDH1A1MAPT
SCHEMBL6572304 0.87 PTGER4 (0.48) PTGER4SRCNCF1ALOX15ALDH1A1
SCHEMBL6573105 0.85 PTGER4 (0.49) PTGER4NCF1PIK3CAALDH1A1MAPT
SCHEMBL6572960 0.85 PTGER4 (0.51) PTGER4NCF1ALOX15ALDH1A1MAPT
SCHEMBL6571509 0.85 CYP3A4 (0.46) PTGER4SRCNCF1ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL6572054 0.84 PTGER4 (0.50) PTGER4NCF1ALOX15ALDH1A1MAPT
SCHEMBL6570749 0.84 PIK3CG (0.41) SRCPIK3CGPIK3CAALDH1A1CA12
SCHEMBL6572005 0.82 PTGER4 (0.50) PTGER4NCF1ALOX15ALDH1A1MAPT
SCHEMBL6572456 0.82 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTHCAR3

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