SCHEMBL19918581

SCHEMBL19918581

c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSPO P30536 1/20 0.34
PIM3 Q86V86 1/20 0.33
CHEK1 O14757 1/20 0.31
WEE1 P30291 1/20 0.31
PDE10A Q9Y233 1/20 0.31
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGLL Q99685 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
SCHEMBL19918586 0.99 ATM (0.35) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918588 0.99 ATM (0.35) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918589 0.96 TSPO (0.34) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918590 0.95 L3MBTL1 (0.35) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918545 0.94 PIM3 (0.32) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918577 0.94 L3MBTL1 (0.36) ATMKDM4EL3MBTL1TSPOPIM3
SCHEMBL19918585 0.94 L3MBTL1 (0.41) ATMKDM4EL3MBTL1TSPOCHEK1
SCHEMBL19918584 0.93 L3MBTL1 (0.38) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL19918676 0.91 KDM4E (0.32) ATMKDM4EL3MBTL1PIM3PDE10A
SCHEMBL19918546 0.91 KDM4E (0.37) ATMKDM4EL3MBTL1

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