SCHEMBL9670686

SCHEMBL9670686

Cc1ccnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.73
PTGS2 P35354 2/20 0.60
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PLA2G1B P04054 1/20 0.58
RAB9A P51151 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
PDE7B Q9NP56 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 2/20 0.56
USP2 O75604 2/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54

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 0.85 PDE7A (1.00) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672681 0.84 PDE7A (0.85) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9670259 0.83 PDE7A (0.76) PDE7A
SCHEMBL9671458 0.81 PDE7A (0.62) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672853 0.80 PDE7A (0.70) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9671609 0.78 PDE7A (1.00) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672666 0.78 PDE7A (0.77) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672668 0.78 PDE7A (0.70) PDE7APTGS2ALDH1A1TSHRMAPK1
SCHEMBL9672832 0.78 PDE7A (0.80) PDE7APTGS2ALDH1A1TSHRPDE7B
SCHEMBL9823310 0.77 SMN1; SMN2 (0.52) PDE7AALDH1A1SMN1; SMN2PLA2G1BRAB9A

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 7 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
US-4833144-A ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-23 US 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
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