SCHEMBL11017149

SCHEMBL11017149

COc1cc([S+](C)[O-])ccc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.41
AMY1A P0DUB6 6/20 0.39
PDE5A O76074 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
RHEB Q15382 1/20 0.36
CFB P00751 4/20 0.36
PDE2A O00408 1/20 0.35
SLC2A1 P11166 1/20 0.35
CHEK2 O96017 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL11017158 0.91 PKN1 (0.46) AMY1APKN1PKN2CFBCHEK2
SCHEMBL10764183 0.91 MAPK10 (0.41) MAPK10AMY1APDE5APKN1PKN2
SCHEMBL10767330 0.89 MAPK10 (0.39) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL11018065 0.89 PDE5A (0.37) MAPK10PDE5APKN1PKN2RHEB
SCHEMBL11021159 0.87 MAPK10 (0.38) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL10578096 0.84 AMY1A (0.37) AMY1APDE5APDE3BPDE3APDE2A
SCHEMBL10748660 0.82 CDK4 (0.46) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL10765920 0.80 AMY1A (0.39) AMY1APDE5APDE3BPDE3APDE2A
SCHEMBL11021893 0.80 ATR (0.44) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL10759909 0.80 RHEB (0.53) PKN1PKN2RHEBCHEK2

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