SCHEMBL8327882

SCHEMBL8327882

CSc1c(C#N)/c(=N/C(=O)Nc2ccccc2)n(C)c(=S)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.43
GRIA4 P48058 2/20 0.43
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 2/20 0.37
SRC P12931 2/20 0.37
MAPT P10636 2/20 0.36
UBE2N P61088 1/20 0.36
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL8323410 0.89 ALDH1A1 (0.39) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8323407 0.89 ALDH1A1 (0.39) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8329433 0.83 GRIA2 (0.36) GRIA2GRIA4
SCHEMBL8329429 0.83 GRIA2 (0.36) GRIA2GRIA4
SCHEMBL8327673 0.82 GRIA2 (0.41) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8327668 0.82 GRIA2 (0.41) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8328436 0.77 ALDH1A1 (0.38) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8328438 0.77 ALDH1A1 (0.38) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8328635 0.76 GRIA4 (0.38) GRIA2GRIA4ALDH1A1HSD17B10TSHR
SCHEMBL8328629 0.76 GRIA4 (0.38) GRIA2GRIA4ALDH1A1HSD17B10TSHR

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