SCHEMBL19747564

SCHEMBL19747564

CC(=O)C(N)c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 9/20 0.46
GAA P10253 8/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALOX15 P16050 3/20 0.46
SNCA P37840 2/20 0.46
CYBB P04839 1/20 0.46
APP P05067 1/20 0.46
NOX3 Q9HBY0 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
BCHE P06276 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL11195556 0.79 NOX1 (0.44) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8749550 0.77 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8966024 0.77 NOX1 (0.46) NOX1GAAMAPTMEN1KMT2A
SCHEMBL14988086 0.76 NOX1 (0.42) NOX1GAAMAPTMEN1KMT2A
SCHEMBL9104070 0.76 GAA (0.41) NOX1GAAMAPTMEN1KMT2A
Iodide SCHEMBL13386087 0.75 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31657639 0.75 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1719765 0.75 NOX1 (0.55) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1078779 0.74 NOX1 (0.46) NOX1GAAMAPTMEN1KMT2A
SCHEMBL28909424 0.74 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475277-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF Bioimics AB (SE) 2019-05-01 EP disclosed
WO-2017222466-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2017-12-28 WO disclosed