SCHEMBL11071981

SCHEMBL11071981

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPSE Q9Y251 2/20 0.40
MAPT P10636 3/20 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 0.38
SYK P43405 1/20 0.38
ITK Q08881 1/20 0.38
PLG P00747 2/20 0.37
PLAU P00749 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11076891 0.89 KMT2A (0.44) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL11071306 0.84 PDE5A (0.40) PDE5AKMT2AMEN1HPSEMAPT
SCHEMBL11066087 0.84 KMT2A (0.43) PDE5AKMT2AMEN1HPSEMAPT
SCHEMBL11065268 0.81 CYP2C9 (0.44) PDE5AKMT2AMEN1HPSEMAPT
SCHEMBL11022213 0.79 ATR (0.44) PDE5AMAPT
SCHEMBL10742473 0.76 MAPT (0.42) KMT2AHPSEMAPTPLAU
SCHEMBL11065296 0.75 PDE5A (0.38) PDE5AKMT2AHPSEMAPTTP53
Hydrochloric Acid SCHEMBL11353296 0.74 GUSB (0.38) PDE5AKMT2ARXFP1
SCHEMBL11061395 0.73 PDE5A (0.39) PDE5AKMT2AHPSEMAPT
SCHEMBL11074215 0.73 HPSE (0.39) PDE5AKMT2AHPSEMAPT

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