SCHEMBL9309312

SCHEMBL9309312

Cc1ccc2oc(-c3c(Br)cccc3C#N)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.57
MAOA P21397 4/20 0.57
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL8481860 0.78 MAOB (0.62) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL9309318 0.73 CYP1A2 (0.33) MAOBMAOAALDH1A1
SCHEMBL14231743 0.71 MAOB (0.71) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL19448665 0.68 MAOB (0.47) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL8993319 0.67 MAOB (0.77) MAOBMAOAALDH1A1
SCHEMBL8025307 0.67 CYP2A6 (0.58) MAOBMAOACA12CA1CA2
SCHEMBL8179409 0.67 MAOB (0.48) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL9859939 0.67 MAOB (0.47) MAOBMAOACA1CA2CA9
SCHEMBL3983367 0.66 MAOB (1.00) MAOBMAOAALDH1A1ADORA3
SCHEMBL11850978 0.65 MAOB (0.80) MAOBMAOACHRM2CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed