SCHEMBL6572329

SCHEMBL6572329

CNc1ccc(N)cc1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 3/20 0.41
TSHR P16473 2/20 0.41
CASP7 P55210 2/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
ELAVL1 Q15717 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38

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
SCHEMBL3785429 0.90 ALDH1A1 (0.40) NPC1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL6573243 0.84 ALDH1A1 (0.45) NPC1RAB9AALDH1A1HSD17B10MAPT
SCHEMBL6572165 0.84 USP7 (0.43) ALDH1A1HSD17B10CASP1MAPTSMN1; SMN2
SCHEMBL3785718 0.83 MAOA (0.42) NPC1RAB9AALDH1A1HSD17B10TSHR
SCHEMBL6574216 0.81 MAP4K4 (0.36) NPC1RAB9AALDH1A1CASP1TSHR
SCHEMBL6573911 0.81 TDP1 (0.48) NPC1RAB9AALDH1A1HSD17B10TSHR
SCHEMBL6573318 0.81 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HSD17B10TSHR
SCHEMBL6572032 0.80 KIF11 (0.52) HSD17B10TSHRMEN1KMT2APOLB
SCHEMBL6574785 0.78 MAPT (0.45) NPC1ALDH1A1HSD17B10MAPTL3MBTL1
SCHEMBL6573032 0.78 ALDH1A1 (0.38) ACHENPC1RAB9AALDH1A1HSD17B10

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