SCHEMBL8328279

SCHEMBL8328279

Cn1c(NCC(O)CNCc2ccc(F)cc2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASR P41180 1/20 0.32
RAB9A P51151 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GRM1 Q13255 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 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
SCHEMBL8325346 0.86 ALDH1A1 (0.33) NPC1LMNAALDH1A1POLBKDM4E
SCHEMBL8322051 0.85 ALDH1A1 (0.42) ALDH1A1POLBKDM4EGAAKMT2A
SCHEMBL8324185 0.83 CHRM2 (0.39) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL8329010 0.82 CHRM2 (0.41) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL8328869 0.82 CHRM2 (0.44) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL8325662 0.81 CHRM2 (0.46) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL8330575 0.80 MEN1 (0.35) LMNAALDH1A1POLBKDM4EGAA
SCHEMBL8324755 0.72 SIGMAR1 (0.37) ALDH1A1GAARAB9AMITFMAPT
SCHEMBL8328033 0.71 CTSS (0.32)
SCHEMBL8329466 0.71 NRP1 (0.33) ALDH1A1KDM4EGAAKMT2AMEN1

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