SCHEMBL8639303

SCHEMBL8639303

NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)cc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 8/20 0.42
PTGS2 P35354 7/20 0.42
PTGS1 P23219 5/20 0.41
PDPK1 O15530 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
ORAI1 Q96D31 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL8641063 1.00 CRACR2A (0.42) CRACR2APTGS2PTGS1PDPK1F2
SCHEMBL8637272 0.99 CRACR2A (0.43) CRACR2APTGS2PTGS1PDPK1F2
SCHEMBL8644078 0.85 PTGS2 (0.39) CRACR2APTGS2PTGS1PDPK1F2
SCHEMBL8641446 0.82 CRACR2A (0.40) CRACR2APTGS2PTGS1PDPK1F2
SCHEMBL8637623 0.82 PTGS2 (0.38) PTGS2PTGS1PDPK1F2F10
SCHEMBL8635859 0.82 PTGS2 (0.41) PTGS2PTGS1PTGES2
SCHEMBL6013987 0.80 PTGS2 (0.60) PTGS2PTGS1PDPK1TSHR
SCHEMBL6013942 0.80 PTGS2 (0.60) PTGS2PTGS1PDPK1TSHR
SCHEMBL6013977 0.79 PTGS2 (0.61) PTGS2PTGS1PDPK1TSHR
SCHEMBL8023576 0.77 PTGS2 (0.62) PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed