SCHEMBL20114296

SCHEMBL20114296

c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc1N2c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.36
EDNRB P24530 1/20 0.36
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 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
SCHEMBL20114294 0.97 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114300 0.96 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114084 0.96 EDNRA (0.34) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114307 0.96 KDM4E (0.37) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114301 0.96 KDM4E (0.38) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114130 0.96 EDNRA (0.37) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114081 0.95 EDNRA (0.35) EDNRAEDNRBMAPTSMN1; SMN2NPSR1
SCHEMBL20114103 0.94 EDNRA (0.35) EDNRAEDNRBHSP90AA1KDM4EATM
SCHEMBL20114160 0.92 EDNRB (0.32) EDNRAEDNRB
SCHEMBL20114292 0.92 EDNRA (0.33) EDNRAEDNRBKDM4EATML3MBTL1

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