SCHEMBL9959657

SCHEMBL9959657

Cc1cccc(S(N)(=O)=O)c1-c1cscn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAPK1 P28482 1/20 0.37
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL28857133 0.82 METAP1 (0.44) METAP2METAP1
SCHEMBL9959654 0.81 STAT3 (0.42) STAT3CA1CA2CA9CA4
SCHEMBL1728666 0.80 STAT3 (0.46) STAT3
SCHEMBL1728670 0.77 STAT3 (0.46) STAT3CA1CA2CA9CA12
SCHEMBL15258967 0.77 SOS1 (0.37) STAT3CA1CA2CA9CA4
SCHEMBL1093963 0.76 IDO1 (0.44) STAT3CA1CA2CA9CA4
SCHEMBL16947690 0.72
SCHEMBL23235485 0.71 MDM2 (0.38) STAT3CA1CA2CA9
Formic Acid SCHEMBL19616984 0.71 STAT3 (0.41) STAT3CA1CA2CA9CA4
SCHEMBL22606378 0.70 STAT3 (0.69) STAT3CA1CA2CA9CA12

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed