SCHEMBL9670342

SCHEMBL9670342

Cc1cccc2c(=O)n(-c3ccccc3)c(SCc3ccccn3)nc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 12/20 0.72
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PLA2G1B P04054 1/20 0.47
TSHR P16473 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 2/20 0.46
MAPK10 P53779 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ADORA1 P30542 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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) PDE7APTGS2ALDH1A1PLA2G1BTSHR
SCHEMBL9381672 0.83 PDE7A (0.80) PDE7APTGS2ALDH1A1TSHRSMN1; SMN2
SCHEMBL9670252 0.83 PDE7A (0.72) PDE7APTGS2ALDH1A1PLA2G1BTSHR
SCHEMBL9672681 0.81 PDE7A (0.85) PDE7APTGS2ALDH1A1PLA2G1BTSHR
SCHEMBL9670259 0.80 PDE7A (0.76) PDE7A
SCHEMBL29832372 0.79 PDE7A (0.69) PDE7ALMNATHRBALDH1A1TSHR
SCHEMBL290649 0.79 PDE7A (0.69) PDE7ALMNATHRBALDH1A1TSHR
SCHEMBL9672666 0.77 PDE7A (0.77) PDE7ALMNAPTGS2ALDH1A1TSHR
SCHEMBL9823613 0.77 PDE7A (0.44) PDE7ALMNAALDH1A1RAB9APDE7B
SCHEMBL9672832 0.77 PDE7A (0.80) PDE7ALMNAPTGS2ALDH1A1TSHR

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