SCHEMBL28784923

SCHEMBL28784923

CCOCCOc1ccc(OCc2cccc(Cl)c2)cc1C(=O)Nc1cc(Cl)ccn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.46
▸ MAOA P21397 3/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.46
▸ FADS1 O60427 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ LRRK2 Q5S007 2/20 0.43

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
SCHEMBL28781756 0.89 MAOB (0.44) MAOBMAOASGMS2
SCHEMBL27792413 0.86 NPC1 (0.49) MAOBLRRK2
SCHEMBL27792405 0.81 KMT2A (0.47) MAOBMAOA
SCHEMBL27771260 0.76 FADS1 (0.52) MAOBMAOAFADS1
SCHEMBL27792361 0.74 KCNMA1 (0.66) MAOBMAOASGMS2FADS1
SCHEMBL27792464 0.70 KCNMA1 (0.55) MAOBMAOA
SCHEMBL3654708 0.69 — —
SCHEMBL15903292 0.68 RXFP1 (0.52) SGMS2
SCHEMBL27771292 0.68 SGMS2 (0.52) MAOBMAOASGMS2LRRK2
SCHEMBL27936605 0.67 MAOB (0.65) MAOBMAOAFADS1

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-101648919-A 3-substituted salicylamide compound, preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2010-02-17 — — CN disclosed
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