SCHEMBL8327788

SCHEMBL8327788

Cn1c(NCCOCCNCc2ccc(F)cc2)c(C#N)c(=O)n(C)c1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHEK1 O14757 2/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL8330575 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL8325492 0.80 POLB (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8324185 0.77 CHRM2 (0.39) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL8328869 0.76 CHRM2 (0.44) ALDH1A1KDM4EACHEGAAMAPT
SCHEMBL8329010 0.76 CHRM2 (0.41) ALDH1A1KDM4EACHEGAAMAPT
SCHEMBL8325662 0.75 CHRM2 (0.46) ALDH1A1KDM4EACHEGAAMAPT
SCHEMBL8322051 0.71 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8329027 0.68 KCNQ4 (0.32) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL8324232 0.67 DRD4 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8329466 0.66 NRP1 (0.33) MEN1KMT2AALDH1A1KDM4EHSD17B10

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