SCHEMBL9251205

SCHEMBL9251205

Cc1ccc(-c2oc(Br)cc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
MAOA P21397 4/20 0.42
AR P10275 2/20 0.41
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 3/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL9246951 0.80 MAOB (0.33) MAOBMAOA
SCHEMBL9254801 0.69 AR (0.41) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL19608810 0.66 AR (0.53) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL18406716 0.66 AR (0.62) MAOBMAOAARKDM4ENPSR1
SCHEMBL19608809 0.66 AR (0.53) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL26391841 0.64 AR (0.61) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL19608728 0.64 AR (0.56) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL22560836 0.64 AR (0.51) MAOBMAOAARKDM4ENPSR1
SCHEMBL8338719 0.64 AR (0.61) MAOBMAOAARKDM4ESMN1; SMN2
SCHEMBL306406 0.63 AR (0.42) MAOBMAOAARMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed