SCHEMBL1373023

SCHEMBL1373023

CN(C)c1ccc2c(c1N(C)C)Nc1ccccc1S2.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.47
GAA P10253 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SNCA P37840 3/20 0.47
ALOX15 P16050 3/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX12 P18054 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL6480585 0.98 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31207184 0.98 NOX1 (0.48) NOX1GAAMAPTMEN1KMT2A
SCHEMBL1373026 0.97 NOX1 (0.47) NOX1GAAMAPTMEN1KMT2A
Iodide SCHEMBL16344749 0.97 NOX1 (0.47) NOX1GAAMAPTMEN1KMT2A
SCHEMBL4938759 0.83 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
SCHEMBL3416420 0.81 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL4931906 0.80 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8629495 0.80 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27752615 0.80 NOX1 (0.52) NOX1GAAMAPTMEN1KMT2A
SCHEMBL27885268 0.77 NOX1 (0.51) 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
US-20110287468-A1 METHODS AND COMPOSITIONS FOR ASSAYING ENZYMATIC ACTIVITY OF MYELOPEROXIDASE IN BLOOD SAMPLES GENERAL ATOMICS (US) 2011-11-24 US disclosed
WO-2011133581-A1 METHODS AND COMPOSITIONS FOR ASSAYING ENZYMATIC ACTIVITY OF MYELOPEROXIDASE IN BLOOD SAMPLES GENERAL ATOMICS (US) 2011-10-27 WO disclosed