SCHEMBL8636816

SCHEMBL8636816

COc1ccccc1-c1cc(C(F)(F)F)nn1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
HPGD P15428 6/20 0.46
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KAT6A Q92794 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGS1 P23219 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
SCHEMBL8639423 0.91 PTGS2 (0.48) PTGS2HPGDKDM4ENPSR1LMNA
SCHEMBL8690933 0.89 PTGS2 (0.45) PTGS2ALDH1A1KMT2AMEN1MAPT
SCHEMBL8639153 0.88 PTGS2 (0.45) PTGS2NPSR1ALPLMAPTTHRB
SCHEMBL8639293 0.85 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8637024 0.84 PTGS2 (0.54) PTGS2HPGDNPSR1LMNAHTT
SCHEMBL8641086 0.84 PTGS2 (0.44) PTGS2LMNAHTTKMT2AMEN1
SCHEMBL8644144 0.83 PTGS2 (0.53) PTGS2KAT6APTGS1
SCHEMBL8688950 0.83 PTGS2 (0.41) PTGS2HPGDKDM4ENPSR1LMNA
SCHEMBL8640455 0.83 PTGS2 (0.45) PTGS2ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL8639246 0.83 PTGS2 (0.56) PTGS2HPGDKDM4EALDH1A1MAPT

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 claimed
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-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed