SCHEMBL9879361

SCHEMBL9879361

CN(C)c1ccccc1CSc1nc(O)cc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.44
GAA P10253 5/20 0.44
SI P14410 5/20 0.44
MGAM2 Q2M2H8 5/20 0.44
VCP P55072 3/20 0.43
HSD17B10 Q99714 1/20 0.41
APEX1 P27695 1/20 0.40
KMT2A Q03164 4/20 0.39
ADORA2A P29274 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL14133162 0.81 GAA (0.66) MGAMGAASIMGAM2VCP
SCHEMBL3452326 0.77 APEX1 (0.52) VCPHSD17B10APEX1KMT2AADORA2A
SCHEMBL9872406 0.73 KMT2A (0.72) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL7525473 0.72 MAPT (0.51) HSD17B10APEX1KMT2AADORA2AMEN1
SCHEMBL13058937 0.71 VCP (0.46) GAAVCPHSD17B10APEX1KMT2A
SCHEMBL11842364 0.69 APEX1 (0.58) GAAVCPHSD17B10APEX1KMT2A
SCHEMBL9312972 0.69 LMNA (0.47) GAALMNAALDH1A1MAPK1L3MBTL1
SCHEMBL11736441 0.69 MEN1 (0.56) GAAHSD17B10KMT2AADORA2AMEN1
SCHEMBL13127132 0.68 MAPK1 (0.47) VCPHSD17B10APEX1KMT2AMEN1
SCHEMBL15850624 0.68 MAPK1 (0.41) GAAKMT2ALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037830-A Antisecretory-antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-08-06 US disclosed
EP-0391254-A2 Novel thiouracil derivatives pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1990-10-10 EP disclosed