SCHEMBL6572183

SCHEMBL6572183

COCCN(CCOC)c1ccc(N)cc1-c1ccc(CO)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.36
PIK3CA P42336 1/20 0.34
GRM2 Q14416 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CRHR1 P34998 3/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ERN1 O75460 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
ACVRL1 P37023 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6572090 0.90 CRHR1 (0.34) CRHR1PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL6572435 0.88 CRHR1 (0.33) GRM2CRHR1MEN1KMT2A
SCHEMBL6572455 0.88 USP7 (0.35) FYNPIK3CACRHR1MEN1ALDH1A1
SCHEMBL6571013 0.86 CRHR1 (0.38) CRHR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL6572104 0.85 CRHR1 (0.32) CRHR1
SCHEMBL6574108 0.85 CRHR1 (0.33) CRHR1MEN1ALDH1A1KMT2A
SCHEMBL6572015 0.85 TDP1 (0.41) CRHR1ALDH1A1HPGD
SCHEMBL6571986 0.85 MEN1 (0.41) CRHR1MEN1KMT2A
SCHEMBL6571975 0.85 GRM2 (0.38) FYNGRM2CRHR1ALDH1A1
SCHEMBL6574001 0.84 FYN (0.33) FYNPRSS1PRSS2PRSS3PTGDR2

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