SCHEMBL11239265

SCHEMBL11239265

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
VCP P55072 1/20 0.51
ALOX5 P09917 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ABL1 P00519 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL11246181 0.92 MAPT (0.53) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3608636 0.91 MAPT (0.51) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3612694 0.90 MAPT (0.67) MAPTNPC1RAB9AGAANPSR1
SCHEMBL10675056 0.89 MAPT (0.50) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3606550 0.89 MAPT (0.52) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11248461 0.88 MAPT (0.55) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11248010 0.88 SIRT5 (0.52) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3609594 0.87 MAPT (0.48) MAPTNPC1RAB9AGAANPSR1
Bromide SCHEMBL11253435 0.87 MAPT (0.51) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3598798 0.87 MAPT (0.54) 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