SCHEMBL20114828

SCHEMBL20114828

c1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1N2c1ccc2oc3ccccc3c2c1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL20114607 0.97
SCHEMBL20114391 0.96 KDM4E (0.35) KDM4E
SCHEMBL20114058 0.96 KDM4E (0.33) KDM4EHDAC6EDNRBEDNRA
SCHEMBL20114213 0.95 PLA2G2A (0.33) HDAC6EDNRBEDNRA
SCHEMBL20114177 0.95 KDM4E (0.32) KDM4EHDAC6EDNRBEDNRA
SCHEMBL20114827 0.95 PLA2G2A (0.33) KDM4E
SCHEMBL20114442 0.94 BCHE (0.32)
SCHEMBL20114174 0.94 PLA2G2A (0.32) KDM4E
SCHEMBL20114276 0.94 PLA2G2A (0.32) KDM4E
SCHEMBL22907564 0.92 PLA2G2A (0.35) KDM4EMEN1NPC1ALDH1A1MAPT

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