SCHEMBL11248461

SCHEMBL11248461

CNC(=O)Nc1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADORA3 P0DMS8 1/20 0.54
PAX8 Q06710 1/20 0.53
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABL1 P00519 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
BAZ1A Q9NRL2 1/20 0.51
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49

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
Nitric Acid SCHEMBL11248442 0.94 BAZ1A (0.56) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3612694 0.88 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11239265 0.88 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3608636 0.87 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11248010 0.86 SIRT5 (0.52) MAPTSMN1; SMN2MEN1KMT2ANPC1
Oxalic Acid SCHEMBL11247631 0.86 SIRT5 (0.55) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3609767 0.84 PHGDH (0.55) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11246181 0.83 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3598798 0.83 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10675056 0.83 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1

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