SCHEMBL8692172

SCHEMBL8692172

Cc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
PTGS2 P35354 12/20 0.43
PTGS1 P23219 8/20 0.43
PDPK1 O15530 1/20 0.39
KMO O15229 1/20 0.37

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
SCHEMBL8637083 0.91 RXRA (0.44) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8637575 0.90 PTGS2 (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8641600 0.90 PTGS2 (0.44) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8688673 0.88 PTGS2 (0.43) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8637137 0.88 RXRA (0.43) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8689185 0.87 PTGS2 (0.57) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8691137 0.87 PTGS2 (0.42) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8693656 0.86 PTGS2 (0.45) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8691654 0.86 PTGS2 (0.45) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL8689324 0.86 PTGS2 (0.45) RXRANR1H2NR1H3PTGS2PTGS1

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 3 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