SCHEMBL9823344

SCHEMBL9823344

O=c1c2cc(Br)ccc2nc([S+]([O-])Cc2ccccn2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9823553 0.88 PDE7A (0.44) PDE7AKDM4ELMNAGAAHPGD
SCHEMBL9823497 0.88 TUBB4A (0.45) PDE7AALDH1A1KDM4ELMNAGAA
SCHEMBL6483730 0.87 PDE7A (0.58) PDE7AALDH1A1KDM4ELMNAGAA
SCHEMBL9823659 0.82 PDE7A (0.46) PDE7AALDH1A1KDM4ELMNAGAA
SCHEMBL9823612 0.80 MEN1 (0.53) PDE7AALDH1A1KDM4ELMNAMEN1
SCHEMBL9823624 0.78 POLB (0.57) PDE7AALDH1A1KDM4EGAAHPGD
SCHEMBL9823808 0.78 ALDH1A1 (0.53) PDE7AALDH1A1LMNAMEN1KMT2A
SCHEMBL9823613 0.77 PDE7A (0.44) PDE7AALDH1A1KDM4ELMNAGAA
SCHEMBL9823294 0.77 PIK3CD (0.42) PDE7AALDH1A1KDM4ELMNAGAA
SCHEMBL9670401 0.77 PDE7A (0.76) 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 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