SCHEMBL17864186

SCHEMBL17864186

c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6c7ccc8ccccc8c7ccc6c54)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPRT1 P00492 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP2A6 P11509 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPK1 P28482 1/20 0.34
PGR P06401 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL17990356 0.93 KDM4E (0.50) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL27453868 0.93 KDM4E (0.50) KDM4EATML3MBTL1HPRT1F2
SCHEMBL25898976 0.93 KDM4E (0.53) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL21448355 0.93 KDM4E (0.47) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL17864173 0.92 KDM4E (0.46) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL15073687 0.91 L3MBTL1 (0.62) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL19131248 0.90 L3MBTL1 (0.50) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL16405418 0.90 L3MBTL1 (0.44) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL16405417 0.90 L3MBTL1 (0.44) KDM4EATML3MBTL1HPRT1CYP1A2
SCHEMBL18086247 0.90 KDM4E (0.52) KDM4EATML3MBTL1HPRT1CYP1A2

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed