SCHEMBL19918586

SCHEMBL19918586

c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSPO P30536 1/20 0.34
PIM3 Q86V86 1/20 0.34
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 2/20 0.31
FAAH O00519 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MGLL Q99685 1/20 0.31
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

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
SCHEMBL19918588 1.00 ATM (0.35) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918581 0.99 ATM (0.35) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918589 0.95 TSPO (0.34) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918577 0.95 L3MBTL1 (0.36) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918585 0.95 L3MBTL1 (0.41) ATML3MBTL1KDM4ETSPOCHEK1
SCHEMBL19918590 0.94 L3MBTL1 (0.35) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918584 0.94 L3MBTL1 (0.38) ATML3MBTL1KDM4ETSPOALDH1A1
SCHEMBL19918545 0.93 PIM3 (0.32) ATML3MBTL1KDM4ETSPOPIM3
SCHEMBL19918676 0.92 KDM4E (0.32) ATML3MBTL1KDM4EPIM3PDE10A
SCHEMBL19918546 0.92 KDM4E (0.37) ATML3MBTL1KDM4E

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