Sugi Predict

Sugi Predict / Compounds / SCHEMBL4736907

SCHEMBL4736907

SCHEMBL4736907

Cc1ccc(C)c(Cc2nc(C(O)CO[N+](=O)OCC(O)c3nc(Cc4cc(C)ccc4C)n(-c4ccc(S(N)(=O)=O)cc4F)n3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.36
▸ PTGES O14684 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL4736901 0.94 PTGS2 (0.36) PTGS2PTGESHTTPTGS1ALDH1A1
SCHEMBL4739295 0.88 PTGS2 (0.35) PTGS2PTGESPTGS1CA2CA1
SCHEMBL4738254 0.86 PTGS2 (0.36) PTGS2PTGESPTGS1CA2CA1
SCHEMBL14163190 0.86 PTGS2 (0.36) PTGS2PTGESPTGS1CA2CA1
SCHEMBL3111940 0.81 PTGS2 (0.40) PTGS2PTGESHTTPTGS1CA2
SCHEMBL14163119 0.80 PTGS2 (0.42) PTGS2PTGESHTTPTGS1ALDH1A1
SCHEMBL3113686 0.79 PTGS2 (0.38) PTGS2PTGESHTTPTGS1CA2
SCHEMBL4796038 0.79 PTGS2 (0.37) PTGS2PTGESHTTPTGS1CA2
SCHEMBL4846638 0.78 PTGS2 (0.38) PTGS2PTGESHTTPTGS1CA2
SCHEMBL14163185 0.78 PTGS2 (0.32) PTGS2HTTALDH1A1MAPT

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-2008075152-A1 1- [4- (SULFONYL) -PHENYL] -5- (BENZYL) -IH-I, 2, 4-TRIAZOL DERIVATIVES AS INHIBITORS OF CARBONIC ANHYDRASE FOR TREATING GLAUCOMA OR OCULAR HYPERTENSION PFIZER PRODUCTS INC. (US) 2008-06-26 — — WO disclosed