SCHEMBL8326728

SCHEMBL8326728

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
TSHR P16473 3/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 6/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
ADORA3 P0DMS8 3/20 0.38
PTGS2 P35354 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL8326417 0.94 MEN1 (0.66) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL8328453 0.88 KMT2A (0.67) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL8329478 0.85 MEN1 (0.62) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL8330299 0.78 MEN1 (0.53) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL8328176 0.76 KMT2A (0.52) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL8618454 0.72 KMT2A (0.56) MEN1KMT2ATSHRUSP2LMNA
SCHEMBL5871944 0.66 MEN1 (0.58) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL28372284 0.66 ALDH1A1 (0.60) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL21810468 0.65 MEN1 (0.72) MEN1KMT2ATSHRUSP2ALDH1A1
SCHEMBL1717720 0.62 RECQL (0.67) MEN1KMT2AALDH1A1RECQLMAPT

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