SCHEMBL15564758

SCHEMBL15564758

O=c1[nH]c(=O)n(CCc2cccc3ccccc23)nc1Br.O=c1[nH]c(=O)n(CCc2cccc3ccccc23)nc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.51
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
NPBWR1 P48145 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK5 Q16478 1/20 0.37
BLM P54132 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
CMA1 P23946 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 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
SCHEMBL15564169 0.93 DAO (0.57) DAOMAPTTDP1KDM4ENPC1
SCHEMBL16968245 0.93 DAO (0.57) DAOMAPTTDP1KDM4ENPC1
SCHEMBL15565204 0.85 DAO (0.50) DAOKMT2AGRIA1GRIA2GRIA4
SCHEMBL15564747 0.84 DAO (0.49) DAOMAPTKDM4EKMT2AGRIA1
SCHEMBL15563883 0.81 DAO (0.52) DAOKDM4EKMT2AGRIA1GRIA2
SCHEMBL15565105 0.81 DAO (0.56) DAOMAPTKMT2AGRIA1GRIA2
SCHEMBL15564035 0.81 DAO (0.56) DAOMAPTKMT2ANPBWR1ALDH1A1
SCHEMBL16968259 0.78 DAO (0.56) DAOMAPTKMT2AGRIA1GRIA2
SCHEMBL15565182 0.78 DAO (0.58) DAO
SCHEMBL15565149 0.78 DAO (0.58) 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