SCHEMBL11239873

SCHEMBL11239873

CC(=O)N(N)C(=N)CCCCc1csc(NC(=N)N)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.47
MAOB P27338 3/20 0.43
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 2/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 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
SCHEMBL11249355 0.84 AOC3 (0.46) AOC3MAOBKMT2ASMN1; SMN2PDE5A
SCHEMBL11241210 0.82 SMN1; SMN2 (0.39) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11239003 0.79 AOC3 (0.43) AOC3MAOBKMT2ASMN1; SMN2PDE5A
SCHEMBL11241637 0.78 AOC3 (0.41) AOC3MAOBKMT2ASMN1; SMN2PDE5A
SCHEMBL11251923 0.78 GAA (0.53) KMT2ASMN1; SMN2
SCHEMBL9789085 0.78 PDE5A (0.46) AOC3MAOBKMT2ASMN1; SMN2PDE5A
Hydrochloric Acid SCHEMBL11247337 0.77 AOC3 (0.43) AOC3MAOBKMT2ASMN1; SMN2PDE5A
SCHEMBL11251663 0.77 ADRB2 (0.41) AOC3KMT2ASMN1; SMN2PDE5APDE1A
SCHEMBL10675326 0.76 AOC3 (0.46) AOC3MAOBKMT2ASMN1; SMN2PDE5A
SCHEMBL11239646 0.76 AOC3 (0.41) AOC3MAOBKMT2ASMN1; SMN2PDE5A

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