SCHEMBL20114236

SCHEMBL20114236

c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
ATM Q13315 2/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MGLL Q99685 1/20 0.31
TSPO P30536 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL20114404 0.96 HDAC6 (0.33) PTGER4ATMTSPOKDM4EL3MBTL1
SCHEMBL20114819 0.96 HDAC6 (0.33) PTGER4ATMTSPOKDM4EL3MBTL1
SCHEMBL20114183 0.96 HDAC6 (0.33) PTGER4ATMTSPOKDM4EL3MBTL1
SCHEMBL20114269 0.95 HDAC6 (0.33) PTGER4ATMKDM4EL3MBTL1
SCHEMBL20114825 0.94 ATM (0.33) PTGER4ATMFAAHALDH1A1HSP90AA1
SCHEMBL20114158 0.94 HDAC6 (0.35) PTGER4TSPO
SCHEMBL20114178 0.92 KDM4E (0.33) PTGER4ATMTSPOKDM4EL3MBTL1
SCHEMBL20114152 0.91 HDAC6 (0.33) PTGER4ATMTSPOKDM4EL3MBTL1
SCHEMBL20114050 0.91 KDM4E (0.33) PTGER4ATMKDM4EL3MBTL1
SCHEMBL20114242 0.90 BCHE (0.35)

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