SCHEMBL21454942

SCHEMBL21454942

c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2nc3ccccc3nc2-c2ccc3c(c2)sc2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GSR P00390 1/20 0.31
PTGER4 P35408 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19655278 0.96 KDM4E (0.38) KDM4EATML3MBTL1HPGDRAB9A
SCHEMBL21454973 0.94 KDM4E (0.37) KDM4EATML3MBTL1HPGDRAB9A
SCHEMBL21716816 0.92 HPGD (0.30) HPGD
SCHEMBL21716205 0.92 HPGD (0.30) HPGD
SCHEMBL21212910 0.92 HPGD (0.33) KDM4EHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21716709 0.91 HPGD (0.31) HPGD
SCHEMBL21717562 0.91 HPGD (0.31) HPGD
SCHEMBL21941868 0.90 KDM4E (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL21941971 0.90 KDM4E (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL19234884 0.90 KDM4E (0.37) KDM4EATML3MBTL1HPGDRAB9A

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