SCHEMBL9670252

SCHEMBL9670252

Cc1cccc2nc(SCc3ccccn3)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.72
PTGS2 P35354 6/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
PLA2G1B P04054 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
PDE7B Q9NP56 1/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL9671403 0.84 PDE7A (1.00) PDE7APTGS2ALDH1A1TSHRPLA2G1B
SCHEMBL9670342 0.83 PDE7A (0.72) PDE7APTGS2ALDH1A1TSHRPLA2G1B
SCHEMBL9672681 0.81 PDE7A (0.85) PDE7APTGS2ALDH1A1TSHRPLA2G1B
SCHEMBL9670259 0.80 PDE7A (0.76) PDE7A
SCHEMBL9672666 0.77 PDE7A (0.77) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672832 0.77 PDE7A (0.80) PDE7APTGS2ALDH1A1TSHRPDE7B
SCHEMBL9823294 0.77 PIK3CD (0.42) PDE7AALDH1A1GAA
SCHEMBL9671578 0.76 PDE7A (0.76) PDE7APTGS2
SCHEMBL9670401 0.76 PDE7A (0.76) PDE7APTGS2
SCHEMBL9381672 0.76 PDE7A (0.80) PDE7APTGS2ALDH1A1TSHRSMN1; SMN2

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 4 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
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