SCHEMBL9394282

SCHEMBL9394282

CN(C)S(=O)(=O)n1c(C#N)nc2cc(OC(F)F)c(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GRIN2B Q13224 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL9077201 0.84 KDM4E (0.40) KDM4EGAASMN1; SMN2
SCHEMBL9389531 0.80 GRIN2B (0.31) GRIN2BSMN1; SMN2
SCHEMBL9389551 0.80 SMN1; SMN2 (0.37) KDM4EGAASMN1; SMN2
SCHEMBL10828193 0.76 PTGS1 (0.37) GAASCN9A
SCHEMBL9074842 0.74 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2
SCHEMBL9077271 0.74 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2
SCHEMBL10832380 0.72 KDM4E (0.36) KDM4EGAASMN1; SMN2
SCHEMBL9390889 0.72
SCHEMBL10828063 0.72 FFAR1 (0.38) SCN9A
SCHEMBL10828334 0.72 FFAR1 (0.38) SCN9A

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-1994018173-A1 BENZIMIDAZOLESULFONIC ACID DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-08-18 WO disclosed