SCHEMBL11291091

SCHEMBL11291091

Nc1cc(N)nc(CC=S)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 2/20 0.30
NOS2 P35228 2/20 0.30
NOS1 P29475 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4452401 0.67 MAPT (0.39) MAPTTDP1NOS3NOS2NOS1
SCHEMBL26598629 0.67 MAPT (0.56) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL4452403 0.67 MAPT (1.00) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL28267332 0.67 MAPT (0.56) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL26598714 0.67 MAPT (0.56) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL8012292 0.66 MAPT (0.39) MAPTTDP1NOS3NOS2
SCHEMBL29724038 0.63 MAPT (0.52) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL2175144 0.63 MAPT (0.52) MAPTTDP1RAB9ANPC1NOS3
SCHEMBL15904245 0.62 MAPT (0.50) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL4198333 0.62 MAPT (0.50) MAPTTDP1RAB9ANPC1SMN1; SMN2

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
EP-0048538-A1 Azo dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP disclosed