SCHEMBL13371011

SCHEMBL13371011

CC1(C)c2ccccc2-n2c3ccc(-c4cccc5ccccc45)cc3c3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34

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
SCHEMBL13371488 0.96 MEN1 (0.37) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13371400 0.95 MEN1 (0.36) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13353718 0.95 MEN1 (0.38) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13371387 0.95 CA12 (0.39) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13371766 0.93 MEN1 (0.38) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13371453 0.90 AKT1 (0.37) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13352456 0.90 MEN1 (0.35) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13352699 0.90 MEN1 (0.34) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13352729 0.90 MEN1 (0.36) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL13353233 0.89 MEN1 (0.36) MEN1MAPTKMT2AKDM4EMAPK1

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-2010050778-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 WO disclosed