SCHEMBL18201516

SCHEMBL18201516

c1ccc(-c2cccc(Nc3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
AR P10275 1/20 0.41
MGLL Q99685 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SYK P43405 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL20935633 0.94 PDK2 (0.46) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL25740817 0.92 PDK2 (0.42) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL30586605 0.91 PDK2 (0.41) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL26369354 0.91 PDK2 (0.41) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL17886978 0.91 PDK2 (0.51) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL23765162 0.91 MEN1 (0.46) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL29518615 0.91 PDK2 (0.51) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL22245913 0.90 PDK2 (0.47) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL14681509 0.90 PDK2 (0.47) PDK2EPHX2ALDH1A1MEN1MAPT
SCHEMBL26369380 0.90 PDK2 (0.39) PDK2EPHX2MEN1MAPTKMT2A

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