SCHEMBL16614038

SCHEMBL16614038

NC(NCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 1/20 0.48
IDO1 P14902 2/20 0.48
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CASR P41180 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43
BCHE P06276 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL17468631 1.00 ACP3 (0.50) ACP3SMN1; SMN2SIGMAR1IDO1CYP3A4
SCHEMBL17463885 0.88 MAOB (0.45) ACP3SMN1; SMN2SIGMAR1IDO1CYP3A4
SCHEMBL19007222 0.88 LMNA (0.55) ACP3SMN1; SMN2SIGMAR1IDO1MEN1
SCHEMBL10251190 0.87 LMNA (0.46) ACP3SMN1; SMN2SIGMAR1IDO1CYP3A4
SCHEMBL17775505 0.84 AGXT (0.46) ACP3SMN1; SMN2SIGMAR1CASRMEN1
SCHEMBL17345718 0.84 AGXT (0.50) CASRMEN1KMT2A
SCHEMBL17266295 0.84 MAOB (0.46) ACP3SMN1; SMN2SIGMAR1IDO1CASR
SCHEMBL17196558 0.84 AGXT (0.46) ACP3SMN1; SMN2SIGMAR1CASRMEN1
SCHEMBL23741366 0.80 MC5R (0.50) IDO1CYP3A4
SCHEMBL15604937 0.79 IDO1 (0.45) ACP3SMN1; SMN2IDO1CYP3A4MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017105041-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-22 WO disclosed
WO-2017099516-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-15 WO disclosed
WO-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 WO disclosed
WO-2016076629-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-19 WO disclosed
WO-2016013867-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 WO disclosed
WO-2016010402-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-21 WO disclosed
WO-2015178732-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-26 WO disclosed
WO-2015174738-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-19 WO disclosed
WO-2015160224-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-10-22 WO disclosed
WO-2015047018-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed
WO-2015046916-A1 A COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-02 WO disclosed