SCHEMBL8327964

SCHEMBL8327964

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 6/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGFR P00533 1/20 0.35
SRC P12931 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
SCHEMBL8328148 0.77 GRIA4 (0.41) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL8328146 0.77 GRIA4 (0.41) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL8323407 0.73 ALDH1A1 (0.39) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL8323410 0.73 ALDH1A1 (0.39) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL8323908 0.72 ALDH1A1 (0.49) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL8329478 0.62 MEN1 (0.62) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL11367107 0.61 GSK3B (0.53) ALDH1A1KDM4EKMT2AMEN1USP2
SCHEMBL8326586 0.59 ALDH1A1 (0.40) GRIA2GRIA4ALDH1A1KDM4ELMNA
SCHEMBL29061182 0.58 ALDH1A1 (0.49) GRIA4ALDH1A1KDM4ELMNAKMT2A
SCHEMBL11340384 0.58 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2AMEN1

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