SCHEMBL11018557

SCHEMBL11018557

CC[S+]([O-])c1ccc(-c2nc3ccc(C#N)cc3[nH]2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
CFB P00751 12/20 0.42
CHEK2 O96017 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
AMY1A P0DUB6 4/20 0.40
F7 P08709 1/20 0.39

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
SCHEMBL11021164 0.92 PKN1 (0.42) PKN1PKN2CFBCHEK2METAP2
SCHEMBL10767330 0.92 MAPK10 (0.39) PKN1PKN2CFBCHEK2AMY1A
SCHEMBL11017158 0.89 PKN1 (0.46) PKN1PKN2CFBCHEK2METAP2
SCHEMBL11021159 0.84 MAPK10 (0.38) PKN1PKN2CFBAMY1AF7
SCHEMBL11018070 0.82 METAP2 (0.44) PKN1PKN2CFBCHEK2METAP2
SCHEMBL11018186 0.80 CYP3A4 (0.48) PKN1PKN2CFB
SCHEMBL11017149 0.80 MAPK10 (0.41) PKN1PKN2CFBCHEK2AMY1A
SCHEMBL10738053 0.80 PDE5A (0.45) AMY1A
SCHEMBL11018943 0.79 AMY1A (0.47) PKN1PKN2CFBCHEK2METAP2
SCHEMBL11018077 0.78 CYP2C9 (0.54) PKN1PKN2CFBCHEK2

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 EP disclosed