SCHEMBL9670401

SCHEMBL9670401

O=c1c2cc(Br)ccc2nc(SCc2ccccn2)n1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.76
PTGS2 P35354 9/20 0.56

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
Chloroform SCHEMBL10585238 0.96 PDE7A (0.70) PDE7APTGS2
SCHEMBL9670259 0.87 PDE7A (0.76) PDE7A
SCHEMBL9671578 0.87 PDE7A (0.76) PDE7APTGS2
SCHEMBL9671403 0.86 PDE7A (1.00) PDE7APTGS2
SCHEMBL9670297 0.82 PDE7A (0.78) PDE7APTGS2
SCHEMBL9381672 0.81 PDE7A (0.80) PDE7APTGS2
SCHEMBL9672681 0.79 PDE7A (0.85) PDE7APTGS2
SCHEMBL3337074 0.78 PDE7A (0.63) PDE7APTGS2
SCHEMBL9672666 0.77 PDE7A (0.77) PDE7APTGS2
SCHEMBL9823344 0.77 PDE7A (0.44) PDE7APTGS2

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
EP-0276825-B1 4 (3H)-QUINAZOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-09 EP disclosed
EP-0276826-B1 2-ALKYLSULFINYL-4 (3H)-QUINAZOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-12-27 EP disclosed
US-5008266-A Antiulcer agent NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-04-16 US disclosed
US-4861780-A 4(3H)-quinazolinone derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-08-29 US disclosed
EP-0276825-A1 4 (3H)-Quinazolinone derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-08-03 EP disclosed
EP-0276826-A1 2-Alkylsulfinyl-4 (3H)-quinazolinone derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-08-03 EP disclosed