SCHEMBL25835186

SCHEMBL25835186

Cn1nc(-c2ccc(OCc3ccccc3)cc2)nc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.57
IGF1R P08069 1/20 0.49
MAOB P27338 2/20 0.49
FDFT1 P37268 1/20 0.48
PRMT5 O14744 1/20 0.47
MCHR1 Q99705 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL21914530 0.86 AOC3 (0.59) AOC3IGF1RMAOBFDFT1PRMT5
SCHEMBL21915134 0.85 AOC3 (0.59) AOC3IGF1RMAOBFDFT1PRMT5
SCHEMBL21889546 0.84 AOC3 (0.61) AOC3IGF1RMAOBFDFT1PRMT5
SCHEMBL21889505 0.81 AOC3 (0.62) AOC3IGF1RMAOBFDFT1PRMT5
SCHEMBL21889277 0.77 AOC3 (0.59) AOC3MAOBPIK3CDPIK3CAPIK3CB
SCHEMBL23343831 0.77 AOC3 (0.57) AOC3MAOBPIK3CDPIK3CAPIK3CB
SCHEMBL21914805 0.76 AOC3 (0.53) AOC3NPC1RAB9APKMSMN1; SMN2
SCHEMBL22165627 0.73 PRMT5 (0.52) IGF1RFDFT1PRMT5NPC1RAB9A
SCHEMBL21888993 0.73 AOC3 (1.00) AOC3
SCHEMBL8807192 0.71 MAOB (0.70) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1

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-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed