SCHEMBL16066293

SCHEMBL16066293

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)c4)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 4/20 0.36
PDE10A Q9Y233 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 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
SCHEMBL16066561 0.98 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066665 0.97 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066522 0.96 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066567 0.95 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066545 0.93 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066718 0.93 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066549 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066450 0.92 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16066173 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16067158 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTPOLB

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed