SCHEMBL20114307

SCHEMBL20114307

c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)Oc6ccccc6N7c6ccc7ccccc7c6)ccc54)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRA P25101 5/20 0.36
EDNRB P24530 1/20 0.36
HDAC4 P56524 1/20 0.31
PTGER4 P35408 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL20114301 0.98 KDM4E (0.38) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114130 0.96 EDNRA (0.37) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114296 0.96 EDNRA (0.36) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114081 0.95 EDNRA (0.35) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114294 0.95 EDNRA (0.34) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114103 0.94 EDNRA (0.35) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114300 0.94 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114084 0.94 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114134 0.92 KDM4E (0.42) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20114124 0.91 EDNRA (0.36) KDM4EATML3MBTL1EDNRAEDNRB

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