SCHEMBL9823613

SCHEMBL9823613

Cc1cccc2c(=O)n(-c3ccccc3)c([S+]([O-])Cc3ccccn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CASR P41180 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6483730 0.85 PDE7A (0.58) PDE7ALMNAKDM4EHPGDGAA
SCHEMBL9823326 0.84 PDE7A (0.43) PDE7ANPSR1CASRKMT2AALDH1A1
SCHEMBL9823294 0.83 PIK3CD (0.42) PDE7ALMNAKDM4EHPGDGAA
SCHEMBL9823612 0.82 MEN1 (0.53) PDE7ALMNAKDM4ENPSR1KMT2A
SCHEMBL9823553 0.81 PDE7A (0.44) PDE7ALMNAKDM4EHPGDGAA
SCHEMBL9823624 0.78 POLB (0.57) PDE7AKDM4EHPGDGAAKMT2A
SCHEMBL9823808 0.78 ALDH1A1 (0.53) PDE7ALMNANPSR1KMT2AALDH1A1
SCHEMBL9823497 0.77 TUBB4A (0.45) PDE7ALMNAKDM4EHPGDGAA
SCHEMBL9823344 0.77 PDE7A (0.44) PDE7ALMNAKDM4EHPGDGAA
SCHEMBL9823310 0.77 SMN1; SMN2 (0.52) PDE7ALMNAKDM4EHPGDKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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