SCHEMBL8659727

SCHEMBL8659727

COc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.50
ERAP1 Q9NZ08 1/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ACLY P53396 6/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL8661279 0.91 STAT3 (0.50) STAT3ERAP1HPGDL3MBTL1KMT2A
SCHEMBL8659946 0.88 PTGS2 (0.56) STAT3HPGDL3MBTL1KMT2AACLY
SCHEMBL8659675 0.88 STAT3 (0.58) STAT3HPGDL3MBTL1KMT2AACLY
SCHEMBL8663461 0.86 PGAM1 (0.48) STAT3ERAP1ACLY
SCHEMBL8659494 0.85 PTGS2 (0.58) STAT3HPGDL3MBTL1KMT2AGAA
SCHEMBL8660195 0.85 MCL1 (0.47) STAT3L3MBTL1KMT2AGAAACLY
SCHEMBL8660532 0.85 STAT3 (0.58) STAT3HPGDL3MBTL1ACLYALDH1A1
SCHEMBL8657407 0.84 PTGS2 (0.59) STAT3HPGDL3MBTL1KMT2AACLY
SCHEMBL8660126 0.84 STAT3 (0.47) STAT3ERAP1HPGDL3MBTL1KMT2A
SCHEMBL8659158 0.84 KIF11 (0.53) STAT3KMT2AGAAACLY

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