SCHEMBL11061395

SCHEMBL11061395

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
HPSE Q9Y251 8/20 0.37
MAPT P10636 2/20 0.37
KDR P35968 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL11065296 0.93 PDE5A (0.38) PDE5AHPSEMAPTKDRKMT2A
SCHEMBL11074215 0.88 HPSE (0.39) PDE5AHPSEMAPTKMT2A
SCHEMBL11071306 0.82 PDE5A (0.40) PDE5AHPSEMAPTKMT2AHSD17B10
SCHEMBL11066087 0.81 KMT2A (0.43) PDE5AHPSEMAPTKMT2A
SCHEMBL11065268 0.81 CYP2C9 (0.44) PDE5AHPSEMAPTKMT2A
SCHEMBL11076891 0.79 KMT2A (0.44) HPSEMAPTKMT2A
SCHEMBL11021159 0.79 MAPK10 (0.38) PDE5A
SCHEMBL7272018 0.77 PDE5A (0.47) PDE5AKMT2AHSD17B10
SCHEMBL10742473 0.76 MAPT (0.42) HPSEMAPTKMT2A
SCHEMBL11071981 0.73 PDE5A (0.41) PDE5AHPSEMAPTKMT2A

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