SCHEMBL6572884

SCHEMBL6572884

COCCNc1ccc(N)cc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.46
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
NCF1 P14598 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.37
HPSE Q9Y251 1/20 0.37
GAA P10253 3/20 0.36
PKM P14618 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6572005 0.91 PTGER4 (0.50) PTGER4KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL6570713 0.87 PTGER4 (0.47) PTGER4KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL6572731 0.86 PTGER4 (0.46) PTGER4KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL6573105 0.86 PTGER4 (0.49) PTGER4KDM4EALDH1A1RAB9AHPGD
SCHEMBL6572960 0.86 PTGER4 (0.51) PTGER4KDM4EALDH1A1NCF1MAPT
SCHEMBL6572456 0.85 PTGER4 (0.50) PTGER4KDM4EALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL6572054 0.84 PTGER4 (0.50) PTGER4KDM4EALDH1A1NCF1MAPT
SCHEMBL6571145 0.84 ALDH1A1 (0.46) PTGER4KDM4EALDH1A1RAB9ANPC1
SCHEMBL6570689 0.83 PTGER4 (0.48) PTGER4KDM4EALDH1A1SMN1; SMN2NCF1
SCHEMBL6573705 0.83 PTGER4 (0.43) PTGER4KDM4EALDH1A1NCF1MAPT

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