SCHEMBL8060933

SCHEMBL8060933

COCCc1c(N)cc(N)cc1-c1cc[nH]c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7458230 0.84 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8105931 0.75 CDK2 (0.31)
SCHEMBL6571882 0.74 TDO2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7460404 0.70 PTGER4 (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7464483 0.70 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7812159 0.69 KCNH2 (0.40)
SCHEMBL7458226 0.69 CYP3A4 (0.31) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7457119 0.69 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7458222 0.69 PTGER4 (0.43) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7462136 0.68 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed