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SCHEMBL20114825

SCHEMBL20114825

c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ 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

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
SCHEMBL20114178 0.98 KDM4E (0.33) ATMKDM4EL3MBTL1PTGER4TSPO
SCHEMBL20114152 0.97 HDAC6 (0.33) ATMKDM4EL3MBTL1PTGER4TSPO
SCHEMBL20114050 0.97 KDM4E (0.33) ATMKDM4EL3MBTL1PTGER4
SCHEMBL20114236 0.94 PTGER4 (0.32) ATMKDM4EL3MBTL1PTGER4FAAH
SCHEMBL20114430 0.94 BCHE (0.33) —
SCHEMBL20114603 0.93 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL17278458 0.91 KDM4E (0.38) ATMKDM4EL3MBTL1PTGER4ALDH1A1
SCHEMBL20114231 0.91 L3MBTL1 (0.41) ATMKDM4EL3MBTL1PTGER4FAAH
SCHEMBL20114047 0.91 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20114851 0.91 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1

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