SCHEMBL17033763

SCHEMBL17033763

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5nc6c7ccccc7c7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.33
ATM Q13315 2/20 0.32
TSHR P16473 1/20 0.32
ACP1 P24666 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE5A O76074 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
SCHEMBL17033707 0.98 HPGD (0.41) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL17033663 0.91 HPGD (0.34) KDM4EHPGDALDH1A1POLBLMNA
SCHEMBL17033843 0.90 KDM4E (0.40) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL16066546 0.89 KDM4E (0.48) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL17033682 0.89 CYP1A1 (0.40) KDM4EHPGDALDH1A1MAPTHSD17B10
SCHEMBL16066671 0.88 KDM4E (0.49) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL17033710 0.87 KDM4E (0.40) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL16067106 0.87 KDM4E (0.46) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL17033668 0.87 DHODH (0.35) KDM4EHPGDALDH1A1POLBMAPT
SCHEMBL17033813 0.86 MAPT (0.40) KDM4EHPGDALDH1A1POLBMAPT

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