SCHEMBL8637076

SCHEMBL8637076

O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.43
PTGS1 P23219 6/20 0.43
CNR2 P34972 1/20 0.40
RXRA P19793 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PDPK1 O15530 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
F10 P00742 1/20 0.36
ERBB2 P04626 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL8635926 0.91 PTGS2 (0.53) PTGS2PTGS1CNR2RXRANR1H2
SCHEMBL8641739 0.90 PTGS2 (0.54) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641607 0.88 PDPK1 (0.45) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641093 0.87 PTGS2 (0.46) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8640002 0.87 PTGS2 (0.42) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8643712 0.86 PTGS2 (0.41) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8638989 0.85 PTGS2 (0.42) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8639795 0.85 PTGS2 (0.50) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8641766 0.85 PTGS2 (0.46) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL8639153 0.84 PTGS2 (0.45) PTGS2PTGS1PTGES2FLT1FLT4

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