SCHEMBL15565356

SCHEMBL15565356

O=c1[nH]c(=O)n(CCc2ccc(F)cc2)nc1Br.O=c1[nH]c(=O)n(CCc2ccc(F)cc2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.47
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK5 Q16478 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16968206 0.92 DAO (0.54) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15563882 0.92 DAO (0.54) DAOMAPTALDH1A1MEN1KMT2A
SCHEMBL15563574 0.88 DAO (0.47) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15564859 0.88 DAO (0.47) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15564357 0.86 DAO (0.51) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15563742 0.86 DAO (0.49) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15564345 0.85 DAO (0.50) DAOGRIA1GRIA2GRIA4GRIK5
SCHEMBL15564215 0.84 DAO (0.56) DAO
SCHEMBL15563974 0.84 DAO (0.56) DAO
SCHEMBL15564464 0.83 DAO (0.52) DAOGRIA1GRIA2GRIA4GRIK5

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