SCHEMBL17033867

SCHEMBL17033867

c1ccc2cc(-n3c4ccccc4c4c3ccc3cc5c6ccccc6c6ccccc6n5c34)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR5A P47898 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL17033808 0.92 HPRT1 (0.35) KDM4EATML3MBTL1ALDH1A1F2
SCHEMBL17033838 0.89 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033833 0.88 KDM4E (0.35) KDM4EATML3MBTL1CYP19A1CYP11B1
SCHEMBL17033806 0.86 KDM4E (0.39) KDM4EATML3MBTL1HTR3AHTR3E
SCHEMBL17033657 0.84 KDM4E (0.35) KDM4EATML3MBTL1HTR3AHTR3E
SCHEMBL17033558 0.84 ATM (0.41) KDM4EATML3MBTL1ALDH1A1HSP90AA1
SCHEMBL19342686 0.83 KDM4E (0.41) KDM4EATML3MBTL1HTR3AHTR3E
SCHEMBL17033858 0.83 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL19342617 0.83 KDM4E (0.44) KDM4EATML3MBTL1HTR3AHTR3E
SCHEMBL26472269 0.83 KDM4E (0.38) KDM4EATML3MBTL1HTR3AHTR3E

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