SCHEMBL16613229

SCHEMBL16613229

NN=Nc1cccc2c1Nc1ccccc1S2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.50
MAPT P10636 7/20 0.50
GAA P10253 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SNCA P37840 3/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX12 P18054 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL2900717 0.90 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10456330 0.80 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30274184 0.75 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10530491 0.75 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30499564 0.74 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL29962430 0.74 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL88106 0.74 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL16815267 0.73 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10419393 0.73 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
SCHEMBL194062 0.72 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A

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-2015046990-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME 주식회사 엘지화학 2015-04-02 WO disclosed