SCHEMBL29852883

SCHEMBL29852883

COC(=O)Cc1cccc(C#N)c1OCc1coc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 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
SCHEMBL23218869 1.00 MAOB (0.38) MAOBMAOAALDH1A1HTTPSMB8
SCHEMBL23218940 0.91 KCNH2 (0.35) MAOBMAOAALDH1A1HTTPSMB8
SCHEMBL29852664 0.91 KCNH2 (0.35) MAOBMAOAALDH1A1HTTPSMB8
SCHEMBL29852699 0.84 MAOA (0.40) MAOBMAOAALDH1A1HTTMAPT
SCHEMBL23219080 0.84 MAOA (0.40) MAOBMAOAALDH1A1HTTMAPT
SCHEMBL28736109 0.83 CFD (0.44) PSMB8PSMB5MAPTTP53KMT2A
SCHEMBL29853127 0.83 CFD (0.44) PSMB8PSMB5MAPTTP53KMT2A
SCHEMBL23218680 0.78 THRB (0.41) MAOBMAOAALDH1A1HTTMAPT
SCHEMBL29853258 0.78 THRB (0.41) MAOBMAOAALDH1A1HTTMAPT
SCHEMBL23218697 0.77 MAPT (0.40) MAOBMAOAALDH1A1MAPTKDM4E

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
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed