SCHEMBL6571926

SCHEMBL6571926

COCCN(CCOC)c1ccc(N)c(-c2ccc(CO)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FYN P06241 4/20 0.36
GRM2 Q14416 1/20 0.35
S100B P04271 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
ERN1 O75460 1/20 0.31
PIK3CA P42336 1/20 0.31
ALDH1A1 P00352 3/20 0.30
APP P05067 1/20 0.30
MTOR P42345 1/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6572754 0.88 F2 (0.35) F2PRSS1PRSS2PRSS3GRM2
SCHEMBL6571056 0.88 MGAM (0.36) F2PRSS1PRSS2PRSS3FYN
SCHEMBL6571429 0.87 ALDH1A1 (0.36) F2PRSS1PRSS2PRSS3GRM2
SCHEMBL6572008 0.86 MAPT (0.35) F2PRSS1PRSS2PRSS3GRM2
SCHEMBL6570799 0.86 GRM2 (0.38) F2PRSS1PRSS2PRSS3GRM2
SCHEMBL6570859 0.86 S100B (0.37) F2PRSS1PRSS2PRSS3S100B
SCHEMBL6571984 0.85 S100B (0.36) F2PRSS1PRSS2PRSS3S100B
SCHEMBL6574728 0.85 KMT2A (0.41) F2PRSS1PRSS2PRSS3S100B
SCHEMBL6572323 0.85 ALOX15 (0.40) ALDH1A1APPMAPTALOX15KMT2A
SCHEMBL6572478 0.85 S100B (0.33) F2PRSS1PRSS2PRSS3S100B

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