SCHEMBL20114827

SCHEMBL20114827

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC4 P56524 1/20 0.32
PRKDC P78527 1/20 0.30
PLA2G10 O15496 1/20 0.30
TSPO P30536 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
SCHEMBL20114391 0.97 KDM4E (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL20114213 0.96 PLA2G2A (0.33) PLA2G2APLA2G4AHDAC4PRKDCPLA2G10
SCHEMBL20114174 0.95 PLA2G2A (0.32) PLA2G2APLA2G4AKDM4EATML3MBTL1
SCHEMBL20114276 0.95 PLA2G2A (0.32) PLA2G2APLA2G4AKDM4EATML3MBTL1
SCHEMBL20114828 0.95 KDM4E (0.31) KDM4E
SCHEMBL20114177 0.94 KDM4E (0.32) PLA2G2APLA2G4AKDM4EATML3MBTL1
SCHEMBL20114058 0.93 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL22907564 0.93 PLA2G2A (0.35) PLA2G2APLA2G4AKDM4EATML3MBTL1
SCHEMBL20114607 0.92
SCHEMBL22907694 0.91 PLA2G2A (0.36) PLA2G2APLA2G4AKDM4EPRKDCPLA2G10

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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed