SCHEMBL17033490

SCHEMBL17033490

c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cc4c(cc32)cc2c3ccccc3c3ccccc3n42)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPY5R Q15761 1/20 0.31
POLB P06746 1/20 0.30
CHEK1 O14757 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RCE1 Q9Y256 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL17033455 0.88 MEN1 (0.37) KDM4EATML3MBTL1NPY5RPOLB
SCHEMBL10027571 0.87 KDM4E (0.43) KDM4EATML3MBTL1MKNK1MKNK2
SCHEMBL17033457 0.86 CCR1 (0.40) KDM4EL3MBTL1MKNK1MKNK2CYP1A2
SCHEMBL17033484 0.86 MKNK1 (0.37) KDM4EMKNK1MKNK2CYP1A2CYP2C19
SCHEMBL17033829 0.84 KDM4E (0.33) KDM4EATML3MBTL1MKNK1MKNK2
SCHEMBL17033531 0.83 KDM4E (0.47) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033779 0.82 DUSP3 (0.34) KDM4EATML3MBTL1MKNK1MKNK2
SCHEMBL17033644 0.82 KDM4E (0.39) KDM4EL3MBTL1MKNK1MKNK2CYP1A2
SCHEMBL17033524 0.82 CYP2A6 (0.39)
SCHEMBL10027588 0.82 KDM4E (0.42) KDM4EATML3MBTL1MKNK1MKNK2

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed