SCHEMBL8690933

SCHEMBL8690933

COc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 3/20 0.40
POLB P06746 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL8641086 0.91 PTGS2 (0.44) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8639423 0.90 PTGS2 (0.48) PTGS2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8636816 0.89 PTGS2 (0.56) PTGS2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8641742 0.89 PTGS2 (0.40) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8639153 0.89 PTGS2 (0.45) PTGS2L3MBTL1MAPTSMN1; SMN2PTGS1
SCHEMBL7868758 0.85 PTGS2 (0.53) PTGS2MAPTSMN1; SMN2PTGS1
SCHEMBL8640523 0.83 GCGR (0.45) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8641218 0.83 MAPT (0.46) PTGS2ALDH1A1MAPTSMN1; SMN2PTGS1
SCHEMBL8637024 0.81 PTGS2 (0.54) PTGS2TDP1KMT2AMAPTSMN1; SMN2
Benzenesulfonamide SCHEMBL8525050 0.80 PTGS2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed