SCHEMBL8647828

SCHEMBL8647828

C=CCc1c(F)c(F)c(F)c(F)c1C1=NC(C)(C)CO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8630585 0.81 KDM4E (0.47) KDM4ELMNAMAPTHTTATM
SCHEMBL9085324 0.74 KDM4E (0.42) KDM4ELMNAMAPTHTTATM
SCHEMBL9089557 0.68 KDM4E (0.42) KDM4ELMNAMAPTHTTATM
SCHEMBL4932232 0.68 KDM4E (0.36) KDM4EMAPT
SCHEMBL9504446 0.67
SCHEMBL8982278 0.67 HRH3 (0.54) KDM4ELMNAMAPTHTTATM
SCHEMBL8853836 0.66 KDM4E (0.47) KDM4ELMNAMAPTHTTATM
SCHEMBL2886677 0.65 KDM4E (0.59) KDM4ELMNAMAPTHTTATM
SCHEMBL610883 0.65 HTT (0.47) KDM4ELMNAMAPTHTTATM
SCHEMBL151989 0.64

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
JP-10291959-A None JP disclosed
JP-H10291959-A PRODUCTION OF COMPOUND WARNER LAMBERT CO 1998-11-04 JP disclosed