SCHEMBL31069401

SCHEMBL31069401

Cn1c(=O)n(Cc2cc3cc(CN)ccc3n2CCCS(C)(=O)=O)c2cc(F)cc(F)c21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
PARG Q86W56 2/20 0.32

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
SCHEMBL31069311 0.89 CACNA1G (0.31)
SCHEMBL31069258 0.89 PTGS2 (0.30) PTGS2
SCHEMBL31069392 0.88 PARG (0.36) PTGS2PARG
SCHEMBL31069394 0.86 PTGDR2 (0.31)
SCHEMBL31069355 0.84
SCHEMBL31069293 0.81 PTGS2 (0.33) PTGS2PARG
SCHEMBL31069245 0.80 CYP3A4 (0.38)
SCHEMBL31069291 0.79
SCHEMBL31069343 0.78 CYP3A4 (0.34) PTGS2
SCHEMBL31069325 0.76 PARG (0.35) PARG

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
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO claimed
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed