SCHEMBL8326290

SCHEMBL8326290

COCCN(CCCNc1c(C#N)c(=N)n(C)c(=S)n1C)Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACKR3 P25106 1/20 0.30
MEN1 O00255 2/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 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
SCHEMBL8328099 0.84 MCHR1 (0.38) MCHR1L3MBTL1TDP1
SCHEMBL8328869 0.78 CHRM2 (0.44) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL8325662 0.77 CHRM2 (0.46) ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL8322051 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL8327285 0.75 HDAC3 (0.34) ALDH1A1MAPT
SCHEMBL8330575 0.75 MEN1 (0.35) MCHR1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL8324185 0.74 CHRM2 (0.39) ALDH1A1KDM4EL3MBTL1NPSR1KMT2A
SCHEMBL8324755 0.72 SIGMAR1 (0.37) ALDH1A1MAPT
SCHEMBL8325346 0.70 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1NPSR1KMT2A
SCHEMBL8327315 0.70 DRD2 (0.41) MCHR1KMT2AACKR3MEN1

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