SCHEMBL17033819

SCHEMBL17033819

c1ccc(-c2cccc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
COMT P21964 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 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
SCHEMBL17033820 0.93 MKNK1 (0.36) RAB9AKMT2AKDM4EPOLB
SCHEMBL17033785 0.89 CYP2A6 (0.38) RAB9A
SCHEMBL17033829 0.88 KDM4E (0.33) KDM4EATML3MBTL1POLB
SCHEMBL17033801 0.87 KDM4E (0.36) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL17033455 0.86 MEN1 (0.37) MEN1RAB9AKMT2AKDM4ETSHR
SCHEMBL16066358 0.86 MEN1 (0.34) MEN1RAB9AKMT2AKDM4ETSHR
SCHEMBL17033790 0.86 CCR1 (0.39) KDM4EL3MBTL1POLB
SCHEMBL16066220 0.86 MEN1 (0.34) MEN1RAB9AKMT2AKDM4ETSHR
SCHEMBL17033825 0.86 KDM4E (0.35) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL15073622 0.86 RAB9A (0.43) MEN1RAB9AKMT2AKDM4ECOMT

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed