SCHEMBL15564747

SCHEMBL15564747

O=c1[nH]c(=O)n(CCc2ccccc2F)nc1Br.O=c1[nH]c(=O)n(CCc2ccccc2F)nc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.49
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK5 Q16478 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2A P28223 2/20 0.37
CASR P41180 2/20 0.36
HPGD P15428 1/20 0.33
CASP7 P55210 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15563911 0.93 DAO (0.56) DAOMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16968246 0.93 DAO (0.56) DAOMEN1KMT2AALDH1A1GRIA1
SCHEMBL15565204 0.87 DAO (0.50) DAOMEN1KMT2AALDH1A1GRIA1
SCHEMBL15565177 0.86 DAO (0.49) DAOMEN1KMT2AALDH1A1GRIA1
SCHEMBL15564758 0.84 DAO (0.51) DAOKMT2AALDH1A1GRIA1GRIA2
SCHEMBL15565356 0.81 DAO (0.47) DAOMEN1KMT2AALDH1A1GRIA1
SCHEMBL16968259 0.80 DAO (0.56) DAOMEN1KMT2AALDH1A1GRIA1
SCHEMBL15565182 0.80 DAO (0.58) DAOCYP1A2CYP2C19
SCHEMBL15565149 0.80 DAO (0.58) DAOCYP1A2CYP2C19
SCHEMBL15563742 0.79 DAO (0.49) DAOKMT2AGRIA1GRIA2GRIA4

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