SCHEMBL8327285

SCHEMBL8327285

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KCNQ4 P56696 3/20 0.33
KCNQ5 Q9NR82 3/20 0.33
SOAT1 P35610 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
CTSL P07711 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
SCHEMBL8331100 0.99 HDAC3 (0.35) HDAC3HDAC1HDAC2NCOR2NAMPT
SCHEMBL8323294 0.97 KCNQ4 (0.33) HDAC3HDAC1HDAC2NCOR2NAMPT
SCHEMBL8325568 0.92 KCNQ4 (0.33) HDAC3HDAC1HDAC2NCOR2KCNQ4
SCHEMBL8329027 0.90 KCNQ4 (0.32) HDAC3HDAC1HDAC2NCOR2KCNQ4
SCHEMBL8328033 0.83 CTSS (0.32) HDAC3HDAC1HDAC2NCOR2KCNQ4
SCHEMBL8330717 0.81 KCNQ4 (0.33) HDAC3HDAC1HDAC2NCOR2GAA
SCHEMBL8329010 0.73 CHRM2 (0.41) HDAC3HDAC1HDAC2POLBGAA
SCHEMBL8322051 0.71 ALDH1A1 (0.42) POLBGAAMITFALDH1A1MAPT
SCHEMBL8329746 0.70 SOAT1 (0.43) HDAC3HDAC1HDAC2NCOR2KCNQ4
SCHEMBL8324185 0.70 CHRM2 (0.39) POLBGAAMITFALDH1A1MAPT

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