SCHEMBL8663418

SCHEMBL8663418

O=S(=O)(Nc1ccccc1-c1ccc(F)c(Cl)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.59
PTGS2 P35354 2/20 0.56
ALOX5AP P20292 1/20 0.56
FEN1 P39748 1/20 0.56
PTGS1 P23219 1/20 0.56
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
CA9 Q16790 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
PTGES2 Q9H7Z7 3/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL8658333 0.89 STAT3 (0.59) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8662804 0.89 PTGES2 (0.61) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8657396 0.88 PTGS2 (0.52) STAT3PTGS2PTGS1MEN1TSHR
SCHEMBL8658522 0.87 STAT3 (0.74) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8648154 0.87 PTGS2 (0.51) STAT3PTGS2PTGS1
SCHEMBL8662887 0.86 MCOLN3 (0.54) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8660236 0.85 STAT3 (0.56) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8657888 0.84 ALDH1A1 (0.61) STAT3ALOX5APFEN1CA12CA2
SCHEMBL8661197 0.84 STAT3 (0.62) STAT3PTGS2ALOX5APFEN1PTGS1
SCHEMBL8659594 0.83 MCOLN3 (0.48) STAT3ALOX5APFEN1CA12CA2

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