SCHEMBL11071306

SCHEMBL11071306

CCOc1cc([S+](C)[O-])ccc1-c1nc2cc(NC(N)=O)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.40
HPSE Q9Y251 3/20 0.39
MAPT P10636 4/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SYK P43405 1/20 0.37
ITK Q08881 1/20 0.37
PLG P00747 3/20 0.37
PLAU P00749 3/20 0.37
F10 P00742 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL11074215 0.90 HPSE (0.39) PDE5AHPSEMAPTKMT2A
SCHEMBL11071981 0.84 PDE5A (0.41) PDE5AHPSEMAPTRECQLBLM
SCHEMBL11065296 0.83 PDE5A (0.38) PDE5AHPSEMAPTTP53KMT2A
SCHEMBL11061395 0.82 PDE5A (0.39) PDE5AHPSEMAPTHSD17B10KMT2A
SCHEMBL11018065 0.78 PDE5A (0.37) PDE5AMAPTRECQLALDH1A1PLG
SCHEMBL9636112 0.76 PDE5A (0.41) PDE5AALDH1A1PLGPLAUF10
SCHEMBL10733507 0.76 PDE5A (0.38) PDE5AMAPTRECQLBLMCACNA1B
SCHEMBL11066087 0.76 KMT2A (0.43) PDE5AHPSEMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL11350743 0.73 GUSB (0.35) PDE5APLGPLAUF10F2
SCHEMBL10762206 0.73 PDE5A (0.41) PDE5AHPSEMAPTALDH1A1PLG

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