SCHEMBL8657407

SCHEMBL8657407

COc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.59
PTGS1 P23219 2/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
STAT3 P40763 1/20 0.52
ACLY P53396 6/20 0.51
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLO1 Q04760 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.46

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
Pyridine SCHEMBL7177842 0.94 PTGS2 (0.53) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL8657378 0.91 MEN1 (0.53) PTGS2PTGS1MEN1KMT2ASTAT3
SCHEMBL8659675 0.90 STAT3 (0.58) PTGS2PTGS1KMT2AALDH1A1LMNA
SCHEMBL8659946 0.90 PTGS2 (0.56) PTGS2KMT2AALDH1A1LMNAMAPT
SCHEMBL8659494 0.87 PTGS2 (0.58) PTGS2PTGS1KMT2AALDH1A1LMNA
SCHEMBL8657813 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8660532 0.87 STAT3 (0.58) PTGS2ALDH1A1LMNASTAT3ACLY
SCHEMBL8659105 0.86 PTGS2 (0.55) PTGS2MEN1KMT2AALDH1A1STAT3
SCHEMBL8660021 0.86 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2AALDH1A1
SCHEMBL8657396 0.86 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2ASTAT3

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-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US claimed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed