SCHEMBL28291675

SCHEMBL28291675

CCCc1nc(CC)c(COC=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
POLB P06746 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL3693696 0.77 GLA (0.38) GLAPOLBKDM4C
SCHEMBL28286871 0.77 GLA (0.38) GLAPOLBKDM4C
SCHEMBL30296175 0.73 GLA (0.34) GLAPOLBKDM4C
SCHEMBL4638662 0.71 GLA (0.37) GLAPOLBKDM4C
SCHEMBL8982070 0.71 GLA (0.34) GLAPOLBKDM4C
SCHEMBL3697669 0.70 GLA (0.38) GLAPOLBKDM4C
SCHEMBL3698722 0.70 ADORA1 (0.39) GLA
SCHEMBL6468405 0.69 GLA (0.32) GLAPOLB
SCHEMBL3701880 0.68 GLA (0.39) GLAPOLBKDM4C
SCHEMBL18633271 0.68 TSHR (0.31)

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
CN-109715615-A Biaryl methyl heterocycles 蒙特利尔大学 2019-05-03 CN disclosed