SCHEMBL7112894

SCHEMBL7112894

COc1cc(-c2noc(CF)c2-c2ccc(S(=O)(=O)O)c(F)c2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PAX8 Q06710 1/20 0.39
PTGS1 P23219 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN9A Q15858 3/20 0.36
RIPK2 O43353 1/20 0.35
GRM2 Q14416 1/20 0.35
CA4 P22748 1/20 0.34

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
SCHEMBL6726385 0.91 PTGS2 (0.46) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6723146 0.90 PTGS2 (0.45) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6726445 0.85 MEN1 (0.40) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6739896 0.84 PTGS2 (0.46) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6730008 0.84 PTGS2 (0.44) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6741063 0.83 PTGS2 (0.46) PTGS2MEN1NPC1KMT2AATM
SCHEMBL6722256 0.83 PTGS2 (0.46) PTGS2MEN1NPC1KMT2AATM
SCHEMBL7108676 0.83 PTGS2 (0.47) PTGS2NPC1KMT2APTGS1
SCHEMBL6730299 0.83 PTGS2 (0.46) PTGS2PAX8PTGS1CA4
SCHEMBL6733458 0.82 PTGS2 (0.42) PTGS2MEN1NPC1KMT2AATM

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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed