SCHEMBL8801440

SCHEMBL8801440

CS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.71
PTGS1 P23219 6/20 0.58

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
SCHEMBL8801529 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8801758 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8799157 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6293890 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8800251 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6289850 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6289831 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8803743 0.80 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6291259 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8800872 0.79 PTGS2 (0.59) PTGS2PTGS1

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-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
WO-2018049014-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed