SCHEMBL8618075

SCHEMBL8618075

CCNc1c(N2CCN(Cc3ccc(F)cc3)CC2)n(C)c(=S)n(C)c1=N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 2/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
AURKA O14965 1/20 0.36
BACE1 P56817 1/20 0.36
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR1A P08908 2/20 0.35
HTR2C P28335 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
NPY2R P49146 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
SCHEMBL8326437 0.79 KDM4E (0.43) KDM4EMAPTMAPK1GAAL3MBTL1
SCHEMBL8326614 0.70 ALDH1A1 (0.42) KDM4EMAPK1GAAL3MBTL1ACHE
SCHEMBL8328374 0.66 ACHE (0.42) ACHE
SCHEMBL8117468 0.66 MAPT (0.67) KDM4EMAPTMAPK1
SCHEMBL1507008 0.65 LMNA (0.67) KDM4EMAPT
SCHEMBL16226139 0.65 POLB (0.61) KDM4EMAPTMAPK1
SCHEMBL13869588 0.65 ALDH1A1 (0.69) KDM4EMAPTMAPK1
SCHEMBL8327173 0.65 PRKAA2 (0.42) ACHEDRD3BACE1
SCHEMBL11939427 0.63 MAPK1 (0.58) KDM4EMAPTMAPK1GAA
SCHEMBL4419829 0.62 MAPT (0.54) KDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed