SCHEMBL8629958

SCHEMBL8629958

NS(=O)(=O)c1ccc(-n2ncc(-c3ccccc3C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52
PTGS2 P35354 10/20 0.47
PTGS1 P23219 7/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL8630977 0.91 CA1 (0.49) POLBMAPTSMN1; SMN2CA1CA2
SCHEMBL8633742 0.89 POLB (0.55) POLBMAPTSMN1; SMN2PTGS2PTGS1
SCHEMBL8631118 0.81 MAPT (0.45) POLBMAPTSMN1; SMN2CA1CA2
SCHEMBL8641542 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8630975 0.75 PTGS2 (0.59) POLBMAPTSMN1; SMN2CA1CA2
SCHEMBL8632975 0.75 CA1 (0.56) POLBMAPTSMN1; SMN2CA1CA2
SCHEMBL595690 0.72 MAPT (1.00) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8629221 0.72 CA9 (0.51) CA1CA2CA4CA9PTGS2
SCHEMBL6320901 0.71 PTGS2 (0.54) CA1CA2CA4CA9PTGS2
SCHEMBL8693342 0.70 PTGS2 (0.70) CA1CA2CA9PTGS2PTGS1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed