SCHEMBL11065296

SCHEMBL11065296

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.38
HPSE Q9Y251 7/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.35
TP53 P04637 1/20 0.35
ADORA2A P29274 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
SCHEMBL11061395 0.93 PDE5A (0.39) PDE5AHPSEMAPTKMT2AKDR
SCHEMBL11074215 0.90 HPSE (0.39) PDE5AHPSEMAPTKMT2AADORA2A
SCHEMBL11071306 0.83 PDE5A (0.40) PDE5AHPSEMAPTKMT2ATP53
SCHEMBL11066087 0.83 KMT2A (0.43) PDE5AHPSEMAPTKMT2A
SCHEMBL11076891 0.81 KMT2A (0.44) HPSEMAPTKMT2A
SCHEMBL11065268 0.81 CYP2C9 (0.44) PDE5AHPSEMAPTKMT2A
SCHEMBL10767330 0.78 MAPK10 (0.39) PDE5A
SCHEMBL10742473 0.77 MAPT (0.42) HPSEMAPTKMT2A
SCHEMBL7270954 0.76 PDE5A (0.48) PDE5AKMT2A
SCHEMBL10738053 0.76 PDE5A (0.45) PDE5AKMT2A

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