SCHEMBL16067014

SCHEMBL16067014

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6ccccc6c6cc7ccccc7n6c5cc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ATM Q13315 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
TERT O14746 1/20 0.31
NPY5R Q15761 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACP1 P24666 3/20 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
PDE5A O76074 2/20 0.30
GBA1 P04062 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
SCHEMBL16066210 0.96 KDM4E (0.34) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16067232 0.94 KDM4E (0.33) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16066400 0.94 KDM4E (0.33) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16066990 0.93 GP6 (0.33) KDM4EATML3MBTL1
SCHEMBL16066264 0.90 CYP1A1 (0.36) ATMKMT2AMEN1HPGDMAPT
SCHEMBL16067019 0.90 L3MBTL1 (0.41) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033607 0.90 KDM4E (0.36) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL10018650 0.89 L3MBTL1 (0.41) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16066171 0.89 GP6 (0.34) KDM4EATML3MBTL1KMT2A
SCHEMBL16066991 0.89 ATM (0.41) KDM4EATML3MBTL1KMT2AMEN1

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed