SCHEMBL10043622

SCHEMBL10043622

Nc1ccc2c(c1)c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
HBB P68871 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.43
IL1R1 P14778 1/20 0.41
FGFR1 P11362 1/20 0.40
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 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
SCHEMBL257001 0.90 KDM4E (0.67) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL29873418 0.90 KDM4E (0.67) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL20960987 0.86 ALDH1A1 (0.44) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL18388993 0.84 ALDH1A1 (0.59) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL29660559 0.84 KDM4E (0.56) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL349768 0.84 KDM4E (0.56) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL30286748 0.84 L3MBTL1 (0.74) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL127119 0.84 L3MBTL1 (0.74) KDM4EL3MBTL1ATMALDH1A1MEN1
Tannin Pyrogallol SCHEMBL20679969 0.84 KDM4E (0.58) KDM4EL3MBTL1ATMALDH1A1MEN1
SCHEMBL19486137 0.84 KDM4E (0.58) KDM4EL3MBTL1ATMALDH1A1MEN1

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-2012015265-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2012-02-02 WO disclosed