SCHEMBL6572659

SCHEMBL6572659

COCCN(CCOC)c1ccc(N)cc1-c1ccc(C)cc1C=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.33
SRC P12931 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6572193 0.87 ERN1 (0.39) CRHR1NPC1ALDH1A1RAB9A
SCHEMBL6574203 0.85 CRHR1 (0.34) CRHR1NPC1ALDH1A1TSHRRAB9A
SCHEMBL6571072 0.85 SRC (0.36) SRCNPC1ALDH1A1TSHRCASP1
SCHEMBL6572640 0.80 ALDH1A1 (0.40) NPC1ALDH1A1RAB9A
SCHEMBL6571019 0.79 ALDH1A1 (0.36) SRCALDH1A1LMNASMN1; SMN2
SCHEMBL6571013 0.78 CRHR1 (0.38) CRHR1NPC1ALDH1A1TSHRCASP1
SCHEMBL6573255 0.78 CRHR1 (0.36) CRHR1NPC1ALDH1A1TSHRCASP1
SCHEMBL6571815 0.77 GAA (0.36) CRHR1NPC1ALDH1A1TSHRCASP1
SCHEMBL6572247 0.77 ALDH3A1 (0.38) CRHR1ALDH1A1
SCHEMBL6574535 0.75 FDPS (0.43) ALDH1A1TSHRLMNASMN1; SMN2

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