SCHEMBL18201375

SCHEMBL18201375

CC1(C)c2ccccc2-c2cccc(-c3cccc(Nc4cccc(-c5ccccc5)c4)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ AR P10275 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SYK P43405 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ STK10 O94804 1/20 0.36
▸ SLK Q9H2G2 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL22001169 0.95 MAPT (0.44) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL22182366 0.95 PDK2 (0.39) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL21615065 0.94 PDK2 (0.44) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL16383445 0.87 SIRT2 (0.46) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL29440300 0.85 PDK2 (0.49) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL30318845 0.85 PDK2 (0.43) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL15275876 0.85 PDK2 (0.49) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL17194808 0.85 PDK2 (0.43) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL22182363 0.85 PDK2 (0.46) SIRT2SIRT1PDK2MEN1ALDH1A1
SCHEMBL30681704 0.85 PDK2 (0.38) PDK2MEN1ALDH1A1ARMAPT

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-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 — — WO disclosed
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