SCHEMBL20114294

SCHEMBL20114294

c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4N5c4ccc5ccccc5c4)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.34
EDNRB P24530 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL20114296 0.97 EDNRA (0.36) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114103 0.95 EDNRA (0.35) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114307 0.95 KDM4E (0.37) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114301 0.95 KDM4E (0.38) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114130 0.95 EDNRA (0.37) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114300 0.93 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114084 0.93 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114081 0.92 EDNRA (0.35) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL20114306 0.91 EDNRB (0.32) EDNRAEDNRB
SCHEMBL20114160 0.89 EDNRB (0.32) EDNRAEDNRB

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