SCHEMBL17033607

SCHEMBL17033607

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPY5R Q15761 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
ACP1 P24666 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL17033412 0.97 KDM4E (0.34) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033458 0.96 KDM4E (0.34) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033505 0.94 NPY5R (0.35) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033614 0.93 KDM4E (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033402 0.90 CNR2 (0.33) KDM4ETSHRATMKMT2AMEN1
SCHEMBL17033600 0.90 L3MBTL1 (0.41) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL16067014 0.90 KDM4E (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033466 0.89 GP6 (0.34) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033623 0.89 KDM4E (0.41) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033609 0.88 KDM4E (0.35) KDM4ETSHRHSD17B10ATML3MBTL1

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