SCHEMBL21454973

SCHEMBL21454973

c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2nc3ccccc3nc2-c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 1/20 0.32
GSR P00390 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPY5R Q15761 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
SCHEMBL21454942 0.94 KDM4E (0.37) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL21941868 0.92 KDM4E (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL21941971 0.92 KDM4E (0.34) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL21213185 0.92 ESR1 (0.32) KDM4EGSRNPC1LMNATP53
SCHEMBL19655278 0.90 KDM4E (0.38) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL21454964 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL19653889 0.89 KDM4E (0.35) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL19234884 0.88 KDM4E (0.37) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL19655163 0.87 KDM4E (0.35) KDM4EATML3MBTL1PTGER4GSR
SCHEMBL21716816 0.86 HPGD (0.30) HPGD

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-2019194481-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-10 WO disclosed