SCHEMBL19918635

SCHEMBL19918635

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7c8cccc9c8c(cc76)-c6ccccc6-9)cc5c4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PTGER4 P35408 1/20 0.32
TSPO P30536 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
SCHEMBL19918604 0.94 PLA2G2A (0.32)
SCHEMBL19918602 0.93 PLA2G2A (0.33) L3MBTL1SIRT2SIRT1
SCHEMBL19918540 0.92 RAC2 (0.31) TSPO
SCHEMBL19918597 0.92 PLA2G2A (0.32) SIRT2SIRT1
SCHEMBL19918651 0.92 KDM4E (0.36) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19918626 0.92 KDM4E (0.36) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19918526 0.92 KDM4E (0.36) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL19918515 0.92 L3MBTL1 (0.38) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL19918517 0.92 L3MBTL1 (0.39) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL19918603 0.91 PLA2G2A (0.34) SIRT2SIRT1

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