SCHEMBL9670541

SCHEMBL9670541

CC(C)Cn1c(S)nc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NPSR1 Q6W5P4 3/20 0.59
TSHR P16473 6/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.50
DPP4 P27487 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL12862549 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPSR1TSHRHSD17B10
SCHEMBL9670265 0.83 KDM4E (0.60) ALDH1A1SMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL24340312 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL14010912 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL10739963 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRTDP1L3MBTL1
SCHEMBL12565557 0.78 LMNA (0.56) ALDH1A1SMN1; SMN2NPSR1TSHRTDP1
SCHEMBL9724531 0.76 TDP1 (0.59) ALDH1A1SMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL9671285 0.76 MEN1 (0.69) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL31621465 0.76 TDP1 (0.59) ALDH1A1SMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL9602807 0.75 TLR7 (0.43) ALDH1A1SMN1; SMN2NPSR1TSHRHSD17B10

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-0276825-A1 4 (3H)-Quinazolinone derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-08-03 EP 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