SCHEMBL11249355

SCHEMBL11249355

N=C(N)Nc1nc(CCCCC(N)=O)cs1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.46
PDE5A O76074 3/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
MAOB P27338 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK2A1 P68400 1/20 0.38

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
Hydrochloric Acid SCHEMBL11239003 0.89 AOC3 (0.43) AOC3PDE5APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL11247337 0.86 AOC3 (0.43) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL10675326 0.85 AOC3 (0.46) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL11251923 0.85 GAA (0.53) KMT2ASMN1; SMN2
SCHEMBL11239646 0.85 AOC3 (0.41) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL11241637 0.85 AOC3 (0.41) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL11239873 0.84 AOC3 (0.47) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL9789085 0.84 PDE5A (0.46) AOC3PDE5AMAOBKMT2ASMN1; SMN2
SCHEMBL11248470 0.84 KMT2A (0.43) AOC3PDE5APDE1APDE1BPDE1C
SCHEMBL6741143 0.84 AOC3 (0.46) AOC3PDE5AMAOBKMT2ASMN1; SMN2

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
US-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed