SCHEMBL6571969

SCHEMBL6571969

COCCN(CCOC)c1ccc(N)cc1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42
PLA2G7 Q13093 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.38
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CASP7 P55210 2/20 0.35
USP2 O75604 1/20 0.35
APEX1 P27695 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL6574564 0.85 CRHR1 (0.36) CRHR1PLA2G7TP53MAPTHSD17B10
SCHEMBL6570965 0.85 PLA2G7 (0.50) CRHR1PLA2G7GPBAR1TP53MAPT
SCHEMBL6573046 0.85 HTR7 (0.44) CRHR1MAPTHSD17B10TSHRALDH1A1
SCHEMBL6573015 0.85 CRHR1 (0.36) CRHR1PLA2G7TP53MAPTHSD17B10
SCHEMBL6570701 0.83 PLA2G7 (0.43) PLA2G7GPBAR1TP53MAPTHSD17B10
SCHEMBL6571205 0.83 CRHR1 (0.35) CRHR1PLA2G7TP53MAPTNPC1
SCHEMBL6574203 0.82 CRHR1 (0.34) CRHR1TP53MAPTNPC1TSHR
SCHEMBL6571350 0.82 CYP1A2 (0.40) CRHR1GPBAR1HSD17B10TSHRKDM4E
SCHEMBL6573255 0.81 CRHR1 (0.36) CRHR1TP53MAPTNPC1TSHR
SCHEMBL6575280 0.81 MAPK1 (0.49) TSHRRAB9AALDH1A1MEN1KMT2A

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