SCHEMBL8328629

SCHEMBL8328629

CSc1c(C#N)/c(=N/C(=O)NC(C)C)n(C)c(=S)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.38
GRIA2 P42262 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 6/20 0.33
TSHR P16473 3/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8328635 1.00 GRIA4 (0.38) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8323410 0.87 ALDH1A1 (0.39) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8323407 0.87 ALDH1A1 (0.39) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8328148 0.85 GRIA4 (0.41) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8328146 0.85 GRIA4 (0.41) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8327884 0.76 GRIA2 (0.43) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8327882 0.76 GRIA2 (0.43) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8327964 0.72 GRIA2 (0.39) GRIA4GRIA2MEN1KMT2AALDH1A1
SCHEMBL8329433 0.72 GRIA2 (0.36) GRIA4GRIA2
SCHEMBL8329429 0.72 GRIA2 (0.36) GRIA4GRIA2

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