SCHEMBL5810944

SCHEMBL5810944

O=c1sc2c(F)cc(F)cc2cc1Cc1cc2cc(F)cc(F)c2sc1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
CHRNA7 P36544 1/20 0.32
MAPK14 Q16539 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
SCHEMBL1365999 0.73 CES2 (0.37) CHRNA7
SCHEMBL12490653 0.69 CYP2A6 (0.41) CHRNA7
SCHEMBL18003338 0.66 ALDH1A1 (0.35) CHRNA7
SCHEMBL23106378 0.66 CHRNA7 (0.33) CHRNA7
SCHEMBL12490263 0.65 CYP2A6 (0.41) CHRNA7
SCHEMBL2898184 0.64 GPR35 (0.48) CHRNA7MAPK14
SCHEMBL5230123 0.60 CHRNA7 (0.38) CHRNA7
SCHEMBL3298107 0.59 IDO1 (0.58) GPR84MAPK14
SCHEMBL15896593 0.56 DAO (0.35)
SCHEMBL2091126 0.55 GPR84 (0.38) GPR84

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-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed