SCHEMBL19918672

SCHEMBL19918672

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)cc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
PTGER4 P35408 1/20 0.32
TSPO P30536 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHEK1 O14757 1/20 0.30
WEE1 P30291 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
SCHEMBL19918671 0.97 TSPO (0.31) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL19918668 0.95 RAC2 (0.30)
SCHEMBL19918676 0.94 KDM4E (0.32) L3MBTL1KDM4EATMPTGER4
SCHEMBL19918674 0.93 ALDH1A1 (0.31) L3MBTL1TSPOALDH1A1HPGDTSHR
SCHEMBL19918577 0.93 L3MBTL1 (0.36) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL19918665 0.92 TSPO (0.32) L3MBTL1TSPOALDH1A1HPGDTSHR
SCHEMBL19918590 0.92 L3MBTL1 (0.35) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL19918580 0.92 L3MBTL1 (0.36) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL19918545 0.92 PIM3 (0.32) L3MBTL1KDM4EATMPTGER4TSPO
SCHEMBL19918667 0.91

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed