SCHEMBL7058149

SCHEMBL7058149

Cc1nn(-c2ccc(F)cc2)cc1OC(=O)Nc1ccc(OCC(C)(C)C)c(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
AR P10275 10/20 0.41

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
SCHEMBL6052642 0.87 XDH (0.48) XDHAR
SCHEMBL7060223 0.84 AR (0.49) XDHAR
SCHEMBL7056820 0.84 XDH (0.47) XDHAR
SCHEMBL7061255 0.83 XDH (0.47) XDHAR
SCHEMBL7060089 0.81 XDH (0.47) XDHAR
SCHEMBL6052423 0.79 AR (0.45) XDHAR
SCHEMBL6052437 0.79 XDH (0.65) XDH
SCHEMBL6052566 0.78 XDH (0.49) XDH
SCHEMBL7051428 0.78 ALDH1A1 (0.41) AR
SCHEMBL6052208 0.78 KMT2A (0.46) XDH

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