SCHEMBL8801829

SCHEMBL8801829

CCS(=O)(=O)c1ccc(N2CC(O)(COc3ccc(F)cc3)N=C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.40
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA7 P43166 4/20 0.36
PTGS1 P23219 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8797326 0.95 PTGS2 (0.41) PTGS2MAPTCA1CA2CA4
SCHEMBL5594474 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5595282 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5594034 0.90 PTGS2 (0.47) PTGS2CA1CA2CA4CA7
SCHEMBL5594779 0.90 PTGS2 (0.47) PTGS2CA1CA2CA4CA7
SCHEMBL5594142 0.87 PTGS2 (0.52) PTGS2CA1CA2CA4CA7
SCHEMBL5594634 0.87 PTGS2 (0.52) PTGS2CA1CA2CA4CA7
SCHEMBL8798175 0.86 PTGS2 (0.43) PTGS2CA1CA2CA4CA7
SCHEMBL5593908 0.85 PTGS2 (0.52) PTGS2CA1CA2CA4CA7
SCHEMBL5593892 0.85 PTGS2 (0.52) PTGS2CA1CA2CA4CA7

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-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed