SCHEMBL8328146

SCHEMBL8328146

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.41
GRIA2 P42262 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
HTR6 P50406 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.32

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 1.00 GRIA4 (0.41) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8323410 0.86 ALDH1A1 (0.39) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8323407 0.86 ALDH1A1 (0.39) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8327964 0.77 GRIA2 (0.39) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8327882 0.74 GRIA2 (0.43) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8327668 0.70 GRIA2 (0.41) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8329429 0.69 GRIA2 (0.36) GRIA4GRIA2
SCHEMBL8329433 0.69 GRIA2 (0.36) GRIA4GRIA2
SCHEMBL8328438 0.69 ALDH1A1 (0.38) GRIA4GRIA2KMT2AMEN1TSHR
SCHEMBL8323908 0.69 ALDH1A1 (0.49) GRIA4GRIA2KMT2AMEN1ALDH1A1

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