SCHEMBL10530293

SCHEMBL10530293

COc1c(N)c(N)c(Cl)c(OC)c1CCO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
IMPDH2 P12268 2/20 0.31
IMPDH1 P20839 1/20 0.31

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
SCHEMBL9827344 0.85 IMPDH2 (0.34) IMPDH2IMPDH1
SCHEMBL9757485 0.82 IMPDH2 (0.35) IMPDH2IMPDH1
SCHEMBL9757345 0.71 IMPDH2 (0.30) IMPDH2IMPDH1
SCHEMBL8432187 0.71 PDE1A (0.36) KDM4EALDH1A1GAAIMPDH2IMPDH1
SCHEMBL8433353 0.68 PDE1A (0.40) KDM4EALDH1A1GAA
SCHEMBL12348441 0.65 GAA (0.31) GAA
SCHEMBL27299900 0.64 IMPDH2 (0.34) IMPDH2IMPDH1
SCHEMBL9820250 0.63 SMN1; SMN2 (0.40) KDM4EALDH1A1GAAIMPDH2IMPDH1
SCHEMBL9398192 0.63 CYP1A2 (0.38) KDM4EALDH1A1GAA
SCHEMBL8419860 0.63 TNKS2 (0.38) KDM4EALDH1A1GAA

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
JP-1063509-A None JP disclosed