SCHEMBL17033398

SCHEMBL17033398

c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4cc5c6ccccc6c6ccccc6n5c4cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK8 P45983 2/20 0.31
KMT2A Q03164 1/20 0.31
FOLH1 Q04609 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
KDR P35968 1/20 0.30
MAPK9 P45984 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

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
SCHEMBL17033531 0.95 KDM4E (0.47) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033425 0.92 KDM4E (0.56) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033632 0.90 ATM (0.44) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033403 0.87 KDM4E (0.39) KDM4EATML3MBTL1MAPK8MAPK9
SCHEMBL17033404 0.86 KDM4E (0.36) KDM4EATML3MBTL1KMT2A
SCHEMBL17033598 0.86 KDM4E (0.40) KDM4EATML3MBTL1KMT2AFOLH1
SCHEMBL17033469 0.86 ATM (0.45) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033636 0.85 KDM4E (0.36) KDM4EATML3MBTL1MAPK8KMT2A
SCHEMBL17033410 0.85 ALDH1A1 (0.39) KDM4EATML3MBTL1CYP1A2CYP2C19
SCHEMBL17033620 0.84 KDM4E (0.38) KDM4EATML3MBTL1KMT2AALDH1A1

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