Sugi Predict

Sugi Predict / Compounds / SCHEMBL9119972

SCHEMBL9119972

SCHEMBL9119972

CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(C(F)(F)F)nc2)CC3)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.64
▸ PTGS1 P23219 6/20 0.64
▸ KCNH2 Q12809 2/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ MINK1 Q8N4C8 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ KIF11 P52732 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
SCHEMBL9117240 0.95 PTGS2 (0.58) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL9115734 0.87 PTGS2 (0.47) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8974697 0.86 KCNH2 (0.54) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8974336 0.86 KCNH2 (0.54) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8974291 0.85 KCNH2 (0.53) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL9118925 0.85 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL9119888 0.84 PTGS2 (0.63) PTGS2PTGS1PIK3CA
SCHEMBL9117648 0.83 PTGS2 (0.71) PTGS2PTGS1KIF11
SCHEMBL8974342 0.83 KCNH2 (0.54) PTGS2PTGS1KCNH2MAP4K4PIK3CA
SCHEMBL8974482 0.83 KCNH2 (0.54) PTGS2PTGS1KCNH2MAP4K4PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 — — WO disclosed