SCHEMBL11021159

SCHEMBL11021159

CCC[S+]([O-])c1ccc(-c2nc3cc(C#N)ccc3[nH]2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.38
AMY1A P0DUB6 6/20 0.36
PDE5A O76074 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
F7 P08709 1/20 0.34
CFB P00751 5/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
RHEB Q15382 1/20 0.33
PDE2A O00408 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SLC2A1 P11166 1/20 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
SCHEMBL11021164 0.92 PKN1 (0.42) AMY1AF7CFBPKN1PKN2
SCHEMBL10767330 0.92 MAPK10 (0.39) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL11017149 0.87 MAPK10 (0.41) MAPK10AMY1APDE5APDE3BPDE3A
SCHEMBL11018557 0.84 PKN1 (0.44) AMY1AF7CFBPKN1PKN2
SCHEMBL7272018 0.81 PDE5A (0.47) AMY1APDE5APDE3BPDE3APDE2A
SCHEMBL11018065 0.80 PDE5A (0.37) MAPK10PDE5APKN1PKN2RHEB
SCHEMBL10763275 0.79 MAPK10 (0.42) MAPK10PDE5APDE3BPDE3A
SCHEMBL11061395 0.79 PDE5A (0.39) PDE5A
SCHEMBL11017158 0.79 PKN1 (0.46) AMY1ACFBPKN1PKN2
SCHEMBL10764183 0.79 MAPK10 (0.41) MAPK10AMY1APDE5AF7CFB

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