SCHEMBL11246073

SCHEMBL11246073

CNc1c(Nc2cccc(-c3csc(NC(=N)N)n3)c2)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX5 P09917 2/20 0.48
ABL1 P00519 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 1/20 0.46
VCP P55072 1/20 0.46
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11248551 0.87 MEN1 (0.48) MAPTRAB9ANPC1GAANPSR1
SCHEMBL3608636 0.85 MAPT (0.51) MAPTRAB9ANPC1GAANPSR1
SCHEMBL11239265 0.82 MAPT (0.57) MAPTRAB9ANPC1GAANPSR1
SCHEMBL10912268 0.82 MAPT (0.47) MAPTRAB9ANPC1GAANPSR1
SCHEMBL11248461 0.81 MAPT (0.55) MAPTRAB9ANPC1GAANPSR1
SCHEMBL3612694 0.80 MAPT (0.67) MAPTRAB9ANPC1GAANPSR1
SCHEMBL3606550 0.79 MAPT (0.52) MAPTRAB9ANPC1GAANPSR1
SCHEMBL3601795 0.79 MAPT (0.45) MAPTRAB9ANPC1GAANPSR1
SCHEMBL10912249 0.79 MAPT (0.44) MAPTRAB9ANPC1GAANPSR1
SCHEMBL11248010 0.78 SIRT5 (0.52) MAPTRAB9ANPC1GAANPSR1

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-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