SCHEMBL17033402

SCHEMBL17033402

Clc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BMX P51813 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDE5A O76074 2/20 0.32
CETP P11597 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL17033500 0.96 PARP1 (0.34) CNR2PARP1MEN1KMT2ABMX
SCHEMBL17033412 0.90 KDM4E (0.34) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL17033607 0.90 KDM4E (0.36) MEN1KMT2AATMPDE5AALDH1A1
SCHEMBL17033505 0.86 NPY5R (0.35) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL17033458 0.86 KDM4E (0.34) MEN1KMT2AATMPDE5AALDH1A1
SCHEMBL17033414 0.84 NPY5R (0.39) KMT2ATP53ALDH1A1KDM4ENPC1
SCHEMBL17033796 0.83 BMX (0.35) CNR2MEN1KMT2ABMXATM
SCHEMBL17033614 0.83 KDM4E (0.33) ATMKDM4ETSHR
SCHEMBL17033600 0.83 L3MBTL1 (0.41) MEN1KMT2AATMABCG2ALDH1A1
SCHEMBL17033663 0.83 HPGD (0.34) MEN1KMT2ABMXATMPDE10A

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