SCHEMBL17033663

SCHEMBL17033663

Clc1ccc(-c2nc(-c3ccc(Cl)cc3)nc(-n3c4ccccc4c4cc5nc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
AHR P35869 1/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
ATM Q13315 1/20 0.33
BMX P51813 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC2A1 P11166 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL17033707 0.91 HPGD (0.41) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033763 0.91 KDM4E (0.43) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16067134 0.90 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033682 0.87 CYP1A1 (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033668 0.85 DHODH (0.35) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033843 0.83 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033402 0.83 CNR2 (0.33) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL17033500 0.81 PARP1 (0.34) ALDH1A1KDM4EKMT2AMEN1ATM
SCHEMBL16067106 0.81 KDM4E (0.46) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033710 0.81 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2

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