SCHEMBL8330575

SCHEMBL8330575

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SCN8A Q9UQD0 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.33
MITF O75030 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM2 P08172 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8324185 0.89 CHRM2 (0.39) MEN1KMT2ASCN8AALDH1A1KDM4E
SCHEMBL8329010 0.89 CHRM2 (0.41) SCN8AALDH1A1KDM4EPOLBGAA
SCHEMBL8328869 0.89 CHRM2 (0.44) SCN8AALDH1A1KDM4EPOLBGAA
SCHEMBL8327788 0.88 MEN1 (0.37) MEN1KMT2ASCN8AALDH1A1KDM4E
SCHEMBL8325662 0.88 CHRM2 (0.46) SCN8AALDH1A1KDM4EPOLBGAA
SCHEMBL8322051 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8325346 0.80 ALDH1A1 (0.33) KMT2AALDH1A1KDM4EPOLBGAA
SCHEMBL8328279 0.80 DNM1 (0.39) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8329027 0.77 KCNQ4 (0.32) ALDH1A1MITFHTTMAPTRAB9A
SCHEMBL8329466 0.77 NRP1 (0.33) MEN1KMT2AALDH1A1KDM4EGAA

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