SCHEMBL4382693

SCHEMBL4382693

O=C(NNC(=O)c1cccc2ccccc12)c1cc2c(ccc3ccccc32)oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.67
ALDH1A1 P00352 12/20 0.67
GAA P10253 8/20 0.67
GLA P06280 7/20 0.67
HPGD P15428 5/20 0.67
MAOB P27338 2/20 0.65
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
RUNX1 Q01196 1/20 0.58
CBFB Q13951 1/20 0.58
LMNA P02545 1/20 0.57
HSD17B10 Q99714 3/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.54
HIF1A Q16665 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL11564630 0.83 MAOB (0.71) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL2807607 0.80 ALDH1A1 (1.00) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL25368456 0.79 KDM4E (0.76) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL10702057 0.79 MAOB (1.00) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL30588921 0.79 KDM4E (0.76) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL11560712 0.79 KDM4E (0.62) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6635701 0.78 MMP3 (0.74) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL20525255 0.77 KDM4E (0.72) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL1711024 0.77 ALDH1A1 (0.76) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL29851487 0.76 MAOB (0.69) KDM4EALDH1A1GAAGLAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed