SCHEMBL7060089

SCHEMBL7060089

CC(C)(C)COc1ccc(NC(=O)Oc2cnn(-c3ccc(F)cc3)c2Cl)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
AR P10275 8/20 0.42
LMNA P02545 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
PGR P06401 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL7061255 0.91 XDH (0.47) XDHARPGR
SCHEMBL6052323 0.89 XDH (0.47) XDHARKCNQ3KCNQ2KCNE1
SCHEMBL7060223 0.82 AR (0.49) XDHARLMNA
SCHEMBL6052355 0.81 MET (0.51) XDH
Water SCHEMBL6052673 0.81 MET (0.51) XDH
SCHEMBL7058149 0.81 XDH (0.47) XDHAR
SCHEMBL6052657 0.80 XDH (0.47) XDH
SCHEMBL6052249 0.79 NPY5R (0.49) XDHAR
SCHEMBL6052437 0.77 XDH (0.65) XDH
SCHEMBL6052423 0.77 AR (0.45) XDHARLMNA

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
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed