SCHEMBL19746239

SCHEMBL19746239

Nc1ccc2c(c1)Sc1cccc(N)c1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 9/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
SNCA P37840 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2C P28335 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL17996072 0.84 SNCA (0.46) NOX1MAPTGAAMAPK1NPC1
SCHEMBL7494277 0.84 MAOA (0.41) NOX1MAPTGAAMAPK1NPC1
SCHEMBL30499564 0.82 NOX1 (0.59) NOX1MAPTGAAMAPK1NPC1
SCHEMBL88106 0.82 NOX1 (0.59) NOX1MAPTGAAMAPK1NPC1
SCHEMBL64975 0.80 SNCA (0.50) NOX1MAPTGAAMAPK1NPC1
SCHEMBL29625245 0.80 SNCA (0.50) NOX1MAPTGAAMAPK1NPC1
SCHEMBL29600380 0.80 SNCA (0.50) NOX1MAPTGAAMAPK1NPC1
SCHEMBL237910 0.79 NOX1 (0.65) NOX1MAPTGAAMAPK1NPC1
SCHEMBL30769563 0.79 NOX1 (0.65) NOX1MAPTGAAMAPK1NPC1
Hydrochloric Acid SCHEMBL12470954 0.78 SNCA (0.48) NOX1MAPTGAAMAPK1NPC1

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