SCHEMBL9259229

SCHEMBL9259229

CS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 6/20 0.73

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
SCHEMBL8985356 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7788130 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL3248281 0.84 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL6512539 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3246289 0.84 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL10843937 0.83 MAPK14 (0.79) PTGS2PTGS1
SCHEMBL6513427 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8985240 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6513824 0.79 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6513901 0.79 PTGS2 (0.66) PTGS2PTGS1

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-5380738-A Side effect reduction MONSANTO COMPANY (US) 1995-01-10 US disclosed