SCHEMBL30787472

SCHEMBL30787472

COc1ccc2occ(CNc3ccccc3)c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.60
▸ MAOA P21397 3/20 0.57
▸ MAPT P10636 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ PDE10A Q9Y233 1/20 0.48
▸ MTNR1A P48039 2/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL28902182 0.85 MAOB (0.74) MAOBMAOAMAPTCA12CA1
SCHEMBL30787497 0.84 MAOB (0.55) MAOBMAOAMAPTALOX12CA12
SCHEMBL30787524 0.81 MAOB (0.73) MAOBMAOAMAPTCA12CA1
SCHEMBL8869586 0.81 MAOB (0.58) MAOBMAOAMAPTALOX12CA12
SCHEMBL30787466 0.81 MAOB (0.58) MAOBMAOACA12CA1CA2
SCHEMBL8871016 0.81 MAOB (0.58) MAOBMAOACA12CA1CA2
SCHEMBL28902190 0.80 MAOB (0.79) MAOBMAOACA12CA1CA2
SCHEMBL30167103 0.80 MAOB (0.79) MAOBMAOACA12CA1CA2
SCHEMBL30787487 0.80 MAOB (0.62) MAOBMAOACA12CA1CA2
SCHEMBL11620611 0.78 MAOB (0.58) MAOBMAOAMAPTMTNR1ANQO2

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
CN-117567419-A Synthesis method of 3-amine methyl primary ketone derivative 深圳职业技术大学 2024-02-20 — — CN disclosed
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