SCHEMBL8327461

SCHEMBL8327461

Cn1c(C2CNCCN2Cc2ccc(F)cc2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
POLB P06746 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
SCHEMBL8326437 0.71 KDM4E (0.43) KDM4EMAPTPOLB
SCHEMBL8326581 0.70 SPHK2 (0.34) ALDH1A1
SCHEMBL8326577 0.70 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10
SCHEMBL8328988 0.70 KDM4E (0.31) ALDH1A1KDM4EHSD17B10
SCHEMBL8327922 0.69 BCHE (0.35) ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8327173 0.69 PRKAA2 (0.42) ALDH1A1
SCHEMBL8328991 0.69 ALDH1A1 (0.31) ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8324755 0.69 SIGMAR1 (0.37) ALDH1A1MAPT
SCHEMBL8328371 0.69 NOS3 (0.35)
SCHEMBL8328374 0.69 ACHE (0.42)

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