SCHEMBL6572636

SCHEMBL6572636

COCCN(CCOC)c1ccc(N)c(-c2c(F)cccc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.34
BTK Q06187 2/20 0.34
S100B P04271 1/20 0.33
MAP4K4 O95819 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
SRC P12931 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
SCHEMBL6572101 0.86 CRHR1 (0.36) CRHR1BTKS100BMAP4K4F2
SCHEMBL6573203 0.86 ALDH1A1 (0.34) CRHR1BTKS100BF2PRSS1
SCHEMBL6573326 0.85 ALDH1A1 (0.35) CRHR1S100B
SCHEMBL6574219 0.81 KMT2A (0.38) S100B
SCHEMBL6574166 0.81 MAP4K4 (0.42) MAP4K4
SCHEMBL6574093 0.81 CRHR1 (0.47) CRHR1S100B
SCHEMBL6571371 0.80 MAOA (0.34) S100BMAP4K4F2PRSS1PRSS2
SCHEMBL6570799 0.79 GRM2 (0.38) S100BMAP4K4F2PRSS1PRSS2
SCHEMBL6572821 0.78 ALDH1A1 (0.37) CRHR1S100BMAP4K4
SCHEMBL6572502 0.78 S100B (0.40) CRHR1S100BF2PRSS1PRSS2

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 8 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
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 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
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed