SCHEMBL8330717

SCHEMBL8330717

Cn1c(NCCOCCN(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.33
KCNQ5 Q9NR82 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KDM1A O60341 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 1/20 0.31
NSD2 O96028 1/20 0.31
MST1R Q04912 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8329027 0.91 KCNQ4 (0.32) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8323294 0.82 KCNQ4 (0.33) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8325568 0.82 KCNQ4 (0.33) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8331100 0.81 HDAC3 (0.35) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8327285 0.81 HDAC3 (0.34) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8327788 0.78 MEN1 (0.37) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL8328033 0.73 CTSS (0.32) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL7497944 0.71 SSTR4 (0.40) KCNQ4KCNQ5HDAC3HDAC1HDAC2
SCHEMBL8330108 0.70 NPC1 (0.45) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL4744310 0.67 SSTR4 (0.56) KCNQ4KCNQ5HDAC3HDAC1HDAC2

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