SCHEMBL30487349

SCHEMBL30487349

CCSc1cc(C)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
STAT6 P42226 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
SCHEMBL3510024 0.84 ALDH1A1 (0.36) ALDH1A1MAOA
SCHEMBL16955600 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1
SCHEMBL30253117 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1
SCHEMBL17703530 0.74 SOD1 (0.35) ALDH1A1MAPK1
SCHEMBL24270006 0.74 ALDH1A1 (0.30) ALDH1A1MAPK1
SCHEMBL19274300 0.74 GABRA1 (0.31) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL309487 0.74 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4932821 0.73 SLC6A4 (0.31) ALDH1A1MAOACYP1A2
SCHEMBL24269857 0.73 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL2866808 0.72 SLC6A4 (0.39) ALDH1A1MAOA

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
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed