SCHEMBL17033530

SCHEMBL17033530

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-n3c4ccccc4c4cc5c(cc43)cc3c4ccccc4c4ccccc4n53)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
AVPR1A P37288 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
POLB P06746 1/20 0.36
OXTR P30559 1/20 0.35
MAPT P10636 1/20 0.34
NPY5R Q15761 1/20 0.34
KMT2A Q03164 2/20 0.34
TYMS P04818 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
SCHEMBL17033416 0.96 KDM4E (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16302969 0.87 KDM4E (0.49) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL17033474 0.86 L3MBTL1 (0.42) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL15073570 0.85 KDM4E (0.51) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL15073638 0.85 KDM4E (0.51) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL17033491 0.85 ATM (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16066981 0.83 HPGD (0.52) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL17033586 0.82 ALDH1A1 (0.39) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL17033600 0.82 L3MBTL1 (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL2744593 0.82 KDM4E (0.61) KDM4EL3MBTL1ATMALDH1A1HPGD

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