SCHEMBL9360647

SCHEMBL9360647

CN(C)c1ccccc1CSc1ncnc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 4/20 0.58
HTT P42858 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 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
SCHEMBL9695466 0.74 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL10483749 0.74 ALDH1A1 (1.00) MAPTKMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL9695397 0.73 ALDH1A1 (0.45) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL9360607 0.71 ALDH1A1 (0.79) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL9356798 0.71 ALDH1A1 (0.65) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL9693767 0.70 KDM4E (0.48) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL9312972 0.70 LMNA (0.47) MAPTALDH1A1HTTL3MBTL1LMNA
SCHEMBL9356904 0.69 ALDH1A1 (0.62) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5136561 0.69 ALDH1A1 (0.58) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL15850624 0.69 MAPK1 (0.41) MAPTKMT2AALDH1A1TDP1L3MBTL1

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-0285089-B1 4-Thioquinazoline derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1994-12-07 EP disclosed
US-4829069-A 4-Thioquinazoline derivatives as antiulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-09 US disclosed
EP-0285089-A2 4-Thioquinazoline derivatives, processes for their preparation and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-10-05 EP disclosed