SCHEMBL7108676

SCHEMBL7108676

O=S(=O)(O)c1ccc(-c2c(-c3cccc(Cl)c3)noc2CF)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 1/20 0.41
HTR7 P34969 1/20 0.35
GSR P00390 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
GHSR Q92847 1/20 0.33
GRM5 P41594 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL6721984 0.91 PTGS2 (0.46) PTGS2PTGS1HTR7RAB9AKMT2A
SCHEMBL6722666 0.91 PTGS2 (0.54) PTGS2PTGS1HTR7RAB9APOLB
SCHEMBL7116583 0.90 PTGS2 (0.47) PTGS2PTGS1HTR7GPBAR1ALDH1A1
SCHEMBL7110302 0.84 PTGS2 (0.47) PTGS2PTGS1ALDH1A1
SCHEMBL7115127 0.84 PTGS2 (0.42) PTGS2PTGS1KMT2AALDH1A1NPC1
SCHEMBL6722694 0.83 PTGS2 (0.53) PTGS2PTGS1HTR7RAB9AALDH1A1
SCHEMBL6722945 0.83 PTGS2 (0.45) PTGS2PTGS1GPBAR1RAB9AKMT2A
SCHEMBL7112894 0.83 PTGS2 (0.45) PTGS2PTGS1KMT2ANPC1
SCHEMBL6735331 0.82 PTGS2 (0.53) PTGS2PTGS1HTR7GSRGPBAR1
SCHEMBL6734771 0.82 PTGS2 (0.45) PTGS2PTGS1HTR7GPBAR1RAB9A

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