SCHEMBL9842885

SCHEMBL9842885

CCCCc1nc(Cl)c(C=O)n1Cc1ccc2sc(-c3ccccc3C#N)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.54
AGTR2 P50052 5/20 0.54
GP6 Q9HCN6 1/20 0.51
PPARG P37231 1/20 0.41

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
SCHEMBL9842996 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9842866 0.86 AGTR1 (0.51) AGTR1AGTR2GP6PPARG
SCHEMBL1014 0.84 GP6 (0.66) AGTR1AGTR2GP6PPARG
SCHEMBL9842853 0.82 AGTR1 (0.52) AGTR1AGTR2GP6PPARG
SCHEMBL21083688 0.79 GP6 (0.59) AGTR1AGTR2GP6PPARG
SCHEMBL9309634 0.78 AGTR1 (0.52) AGTR1AGTR2GP6PPARG
SCHEMBL9311152 0.78 AGTR1 (0.51) AGTR1AGTR2GP6PPARG
SCHEMBL9309628 0.78 AGTR1 (0.56) AGTR1AGTR2GP6
SCHEMBL21083964 0.77 GP6 (0.56) AGTR1AGTR2GP6PPARG
SCHEMBL9309005 0.77 AGTR1 (0.51) AGTR1AGTR2GP6PPARG

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
EP-0430709-A2 Benzthiophen derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP disclosed