SCHEMBL17640477

SCHEMBL17640477

c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
NCOA1 Q15788 1/20 0.30
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
TSHR P16473 1/20 0.30
MCL1 Q07820 1/20 0.30
TDO2 P48775 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
SCHEMBL17974236 0.83 KDM4E (0.40) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL22410585 0.83 MAPT (0.37) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL9890183 0.83 KDM4E (0.41) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL17640480 0.82 PLA2G2A (0.41) KDM4EL3MBTL1MAPTNPC1TDO2
SCHEMBL9890185 0.81 KDM4E (0.40) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL14770615 0.81 NPC1 (0.35) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL15965741 0.81 KMO (0.35) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL12175650 0.81 KDM4E (0.42) KDM4EATML3MBTL1MAPTNPC1
SCHEMBL21425719 0.81 ALOX5 (0.47) KDM4EATML3MBTL1PTPRFPTPN2
SCHEMBL13245633 0.81 KDM4E (0.37) KDM4EATML3MBTL1MAPTNPC1

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
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 US disclosed