SCHEMBL8326417

SCHEMBL8326417

CCCCOC(=O)c1c(SC)n(-c2ccccc2)c(=S)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
L3MBTL1 Q9Y468 5/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
TSHR P16473 6/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
EGFR P00533 1/20 0.39
RECQL P46063 1/20 0.39
ECE1 P42892 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8326728 0.94 MEN1 (0.69) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8328453 0.86 KMT2A (0.67) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8329478 0.83 MEN1 (0.62) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL8328176 0.74 KMT2A (0.52) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11792192 0.70 MEN1 (0.52) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL28371412 0.67 ALDH1A1 (0.54) L3MBTL1ALDH1A1LMNATSHRTDP1
SCHEMBL28189582 0.64 TSHR (0.52) L3MBTL1ALDH1A1LMNATSHRTDP1
SCHEMBL21810468 0.64 MEN1 (0.72) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL1869078 0.63 LMNA (0.79) L3MBTL1ALDH1A1LMNATSHRTDP1
Dibutyl Phthalate SCHEMBL8813340 0.63 TSHR (0.96) L3MBTL1ALDH1A1LMNATSHRTDP1

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed