SCHEMBL8324755

SCHEMBL8324755

Cn1c(NCCN2CCN(Cc3ccc(F)cc3)CC2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
PHGDH O43175 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL8328374 0.85 ACHE (0.42) ACHE
SCHEMBL8327173 0.84 PRKAA2 (0.42) SIGMAR1ALDH1A1ACHE
SCHEMBL8327922 0.82 BCHE (0.35) MAPTMITFALDH1A1HTTRAB9A
SCHEMBL8326437 0.82 KDM4E (0.43) MAPTHTTMAPK1GAAACHE
SCHEMBL8322051 0.81 ALDH1A1 (0.42) MAPTMITFALDH1A1HTTRAB9A
SCHEMBL8328418 0.81 POLB (0.44) ALDH1A1GAA
SCHEMBL8326767 0.80 DRD4 (0.47) SIGMAR1
SCHEMBL8324185 0.80 CHRM2 (0.39) MAPTMITFALDH1A1HTTRAB9A
SCHEMBL8329010 0.79 CHRM2 (0.41) MAPTMITFALDH1A1HTTRAB9A
SCHEMBL8328869 0.79 CHRM2 (0.44) MAPTMITFALDH1A1HTTRAB9A

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 2 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
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed