SCHEMBL11549472

SCHEMBL11549472

N#CC=Cc1coc2ccccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.63
▸ MAOA P21397 8/20 0.61
▸ PTPN1 P18031 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PTGS2 P35354 3/20 0.51
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL11549468 1.00 MAOB (0.63) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL29952282 0.76 PTPN1 (1.00) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL127924 0.76 PTPN1 (1.00) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL31227087 0.75 MAOB (0.68) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL11307220 0.75 MAOB (0.68) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL1305130 0.75 MAOB (0.71) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL1102245 0.75 MAOB (0.71) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL28874629 0.75 MAOB (0.71) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL29366939 0.71 MAOB (0.51) MAOBMAOAPTPN1ALDH1A1KDM4E
SCHEMBL2525949 0.71 MAOB (0.51) MAOBMAOAPTPN1ALDH1A1KDM4E

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-4151180-A INTERMEDIATES FOR ANTIALLERGENS, ANTIHISTAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-24 — — US disclosed
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