SCHEMBL9670692

SCHEMBL9670692

O=c1c2ccccc2nc(S)n1-c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.51
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
IDO2 Q6ZQW0 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
NTRK1 P04629 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPK8 P45983 1/20 0.50
RAB9A P51151 1/20 0.50
NTRK2 Q16620 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL5028779 0.83 ALDH1A1 (0.73) LMNAALDH1A1HTTKDM4EIDO1
SCHEMBL5028796 0.83 LMNA (0.57) LMNAALDH1A1HTTKDM4EIDO1
SCHEMBL1129120 0.82 ALDH1A1 (0.54) LMNAALDH1A1HTTIDO1TDO2
SCHEMBL12565558 0.81 GSR (0.51) LMNAALDH1A1HTTKDM4ETDP1
SCHEMBL9670555 0.80 NPC1 (0.58) LMNAALDH1A1HTTKDM4EKMT2A
SCHEMBL1129588 0.80 L3MBTL1 (0.68) LMNAALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL1129431 0.80 ALDH1A1 (0.49) LMNAALDH1A1HTTIDO1TDO2
SCHEMBL5028773 0.80 ALDH1A1 (0.71) LMNAALDH1A1HTTKDM4EIDO1
SCHEMBL1129535 0.80 ALDH1A1 (0.49) LMNAALDH1A1HTTKDM4ETDP1
SCHEMBL6279693 0.79 KDM4E (0.62) LMNAALDH1A1HTTKDM4ETDP1

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