SCHEMBL9012933

SCHEMBL9012933

O=S(=O)(c1ccc[c]c1-c1ccc(Cl)c(F)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
KMO O15229 2/20 0.33
F10 P00742 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
MCL1 Q07820 1/20 0.30
EPAS1 Q99814 2/20 0.30

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
SCHEMBL9012776 0.90 PTGS2 (0.39) PTGS2PTGS1KMOEPAS1
SCHEMBL9012951 0.84 PTGS2 (0.42) PTGS2PTGS1FEN1
SCHEMBL9012724 0.83 EPAS1 (0.34) EPAS1
SCHEMBL9012598 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL9013714 0.80 PTGS2 (0.43) PTGS2PTGS1KMOEPAS1
SCHEMBL9013542 0.76 PTGS2 (0.40) PTGS2PTGS1KMT2AEPAS1
SCHEMBL9013024 0.75 NOTUM (0.40) MEN1KMT2A
SCHEMBL6401586 0.73 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL9012694 0.71 PTGS2 (0.44) PTGS2PTGS1KMT2A
SCHEMBL5790164 0.71 PTGS2 (0.41) PTGS2PTGS1FEN1

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-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO disclosed