SCHEMBL15564345

SCHEMBL15564345

COc1ccc(CCn2nc(Br)c(=O)[nH]c2=O)cc1.COc1ccc(CCn2nc(O)c(=O)[nH]c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
G6PD P11413 3/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 2/20 0.41
CALM1 P0DP23 1/20 0.39
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL15564523 0.93 DAO (0.56) DAOHPGDMAPTKDM4EG6PD
SCHEMBL16968205 0.93 DAO (0.56) DAOHPGDMAPTKDM4EG6PD
SCHEMBL15564859 0.87 DAO (0.47) DAOHPGDALDH1A1GRIA1GRIA2
SCHEMBL15564790 0.87 DAO (0.54) DAOSIGMAR1L3MBTL1
SCHEMBL15564464 0.87 DAO (0.52) DAOHPGDMEN1KMT2AGRIA1
SCHEMBL15563574 0.85 DAO (0.47) DAOMEN1ALDH1A1KMT2AHTR2A
SCHEMBL15565356 0.85 DAO (0.47) DAOHPGDMAPTKDM4EMEN1
SCHEMBL15563742 0.83 DAO (0.49) DAOMAPTKDM4EKMT2AGRIA1
SCHEMBL15563974 0.81 DAO (0.56) DAO
SCHEMBL15564215 0.81 DAO (0.56) DAO

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
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO disclosed