SCHEMBL9174176

SCHEMBL9174176

CN(C)S(=O)(=O)n1c(C#N)nc2cc(C(F)(F)F)cc(C(F)(F)F)c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
USP30 Q70CQ3 1/20 0.31
MCHR1 Q99705 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
SCHEMBL10961029 0.80 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EGAAUSP30
SCHEMBL9171678 0.78 CACNA1H (0.34) CACNA1H
SCHEMBL11013912 0.77 S1PR1 (0.42) SMN1; SMN2KDM4EGAAUSP30
SCHEMBL74206 0.73 DDR1 (0.37) SMN1; SMN2KDM4EGAA
SCHEMBL10828325 0.69 AR (0.37) SMN1; SMN2
SCHEMBL10828314 0.69 EGLN1 (0.37) SMN1; SMN2
SCHEMBL9390524 0.68
SCHEMBL9390889 0.68
SCHEMBL10959174 0.68 PDE2A (0.41) SMN1; SMN2KDM4EGAA
SCHEMBL10828193 0.67 PTGS1 (0.37) GAA

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-0650479-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-05-03 EP disclosed
WO-1994001411-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-01-20 WO disclosed