SCHEMBL11244685

SCHEMBL11244685

C#CCNC(=NC#N)Nc1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 6/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC6 Q9UBN7 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39

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
SCHEMBL11244678 1.00 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11260899 0.89 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11260908 0.89 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11252859 0.88 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11252865 0.88 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11245298 0.88 MAPT (0.45) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11245292 0.88 MAPT (0.45) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11254002 0.86 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11254009 0.86 MAPT (0.42) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11257637 0.86 MAPT (0.41) MAPTNPC1RAB9AGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US claimed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP claimed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP claimed
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed