SCHEMBL6572981

SCHEMBL6572981

CC(=O)c1ccc(-c2cc(N)ccc2NCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
PTGER4 P35408 3/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B1 P14061 3/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC1 Q13547 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLEC Q15149 1/20 0.38
PRSS1 P07477 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NQO2 P16083 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
SCHEMBL6575183 0.87 PTGER4 (0.47) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL6571957 0.85 PRSS1 (0.38) KDM4EALDH1A1HTTPRSS1
SCHEMBL6573032 0.82 ALDH1A1 (0.38) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6572735 0.82 PRKCI (0.38) PRKCIMAPTNPC1RAB9AHSD17B1
SCHEMBL6571342 0.81 USP7 (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6571430 0.81 PRSS1 (0.37) ALDH1A1PRSS1
SCHEMBL6570671 0.80 CYP1A2 (0.43) MAPTKDM4EALDH1A1PRSS1
SCHEMBL6572117 0.80 FCGR3B (0.36) KDM4EPRSS1GLA
SCHEMBL6571157 0.80 TDO2 (0.38) HDAC2HDAC1ALDH1A1PRSS1
SCHEMBL6571420 0.80 MKNK1 (0.37) MAPTNPC1RAB9AKDM4EALDH1A1

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