SCHEMBL31771

SCHEMBL31771

c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
BRCA1 P38398 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSPO P30536 1/20 0.31
HDAC4 P56524 1/20 0.31
PPARG P37231 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL17126272 0.96 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL31764 0.95 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL26430764 0.94 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL10108652 0.94 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL17126100 0.94 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL17126096 0.94 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL26430802 0.93 ALDH1A1 (0.35) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL21742434 0.93 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL26430746 0.93 L3MBTL1 (0.36) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL26430757 0.93 L3MBTL1 (0.36) KDM4EATML3MBTL1ALDH1A1MEN1

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed