SCHEMBL20114397

SCHEMBL20114397

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5cccc6c5oc5ccccc56)ccc43)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
ALOX5 P09917 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
SCHEMBL20114164 0.96 KDM4E (0.35) KDM4EATML3MBTL1ALOX5
SCHEMBL20114281 0.95 KDM4E (0.31) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL20114872 0.94 KDM4E (0.31) KDM4EATML3MBTL1PLA2G2APLA2G4A
SCHEMBL20114388 0.93 HDAC6 (0.31) PLA2G2APLA2G4AALOX5
SCHEMBL20114241 0.92
SCHEMBL20114201 0.92 ALOX5 (0.30) ALOX5
SCHEMBL20114161 0.92 ALOX5 (0.30) ALOX5
SCHEMBL20114832 0.91 ALOX5 (0.33) ALOX5
SCHEMBL20114605 0.90 PLA2G2A (0.30) PLA2G2APLA2G4AALOX5
SCHEMBL20114256 0.90 ALOX5 (0.31) ALOX5

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