SCHEMBL17033733

SCHEMBL17033733

Clc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
BMX P51813 1/20 0.33
ATM Q13315 1/20 0.33
PDE5A O76074 2/20 0.32
CNR2 P34972 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MDM2 Q00987 1/20 0.31
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL17033775 0.90 MEN1 (0.33) MEN1KMT2AATMKDM4ELMNA
SCHEMBL17033444 0.90 KDM4E (0.33) MEN1KMT2AATMPDE5AABCG2
SCHEMBL17033905 0.88 CYP1A1 (0.36) MEN1KMT2AATMCNR2ABCG2
SCHEMBL17033741 0.87 TSPO (0.34) MEN1KMT2AATMKDM4EMAPT
SCHEMBL17033641 0.87 PDE10A (0.34) PDE10AMEN1KMT2ABMXATM
SCHEMBL17033796 0.86 BMX (0.35) PDE10AMEN1KMT2ABMXATM
SCHEMBL17033754 0.85 CYP1A1 (0.39) MEN1KMT2AABCG2KDM4ELMNA
SCHEMBL17033500 0.84 PARP1 (0.34) PDE10AMEN1KMT2ABMXATM
SCHEMBL17033739 0.84 DHODH (0.35) KMT2ANPC1RAB9AKDM4ELMNA
SCHEMBL17033437 0.83 KDM4E (0.31) MEN1KMT2AATMKDM4EMAPT

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