SCHEMBL23765162

SCHEMBL23765162

c1ccc(Nc2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
AR P10275 1/20 0.46
PDK2 Q15119 2/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 1/20 0.38
HSD17B10 Q99714 3/20 0.38
MGLL Q99685 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36

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 0.97 PDK2 (0.46) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL22688486 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL18201516 0.91 PDK2 (0.44) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL21615036 0.90 PDK2 (0.47) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL22925288 0.88 PDK2 (0.45) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL25657060 0.88 PDK2 (0.49) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL22000708 0.88 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL21615054 0.88 PDK2 (0.49) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL24904903 0.87 PDK2 (0.40) MEN1KMT2AALDH1A1MAPTAR
SCHEMBL22245913 0.87 PDK2 (0.47) MEN1KMT2AALDH1A1MAPTAR

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-2021162384-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-19 WO disclosed