Sugi Predict

Sugi Predict / Compounds / SCHEMBL8797828

SCHEMBL8797828

SCHEMBL8797828

N#Cc1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)cn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.61
▸ PTGS1 P23219 3/20 0.52
▸ CA12 O43570 5/20 0.47
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 5/20 0.47

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
SCHEMBL5594575 0.91 PTGS2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594686 0.91 PTGS2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL5595093 0.87 PTGS2 (0.78) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594643 0.87 PTGS2 (0.78) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594415 0.82 PTGS2 (0.59) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594270 0.82 PTGS2 (0.59) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594568 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5594689 0.81 PTGS2 (0.72) PTGS2PTGS1
Benzene SCHEMBL5594471 0.79 PTGS2 (0.75) PTGS2PTGS1CA12CA1CA2
SCHEMBL5594123 0.78 PTGS2 (0.67) 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-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