SCHEMBL2298007

SCHEMBL2298007

CS(=O)(=O)OCc1cc(F)c(Br)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.33
IDO1 P14902 2/20 0.33
DDR1 Q08345 2/20 0.31
NOTUM Q6P988 1/20 0.31
SCN9A Q15858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL19491472 0.85 KIF11 (0.35) KIF11IDO1DDR1SCN9ANPSR1
SCHEMBL857212 0.83 SCN5A (0.32) IDO1SCN9A
SCHEMBL16637432 0.82 KIF11 (0.33) KIF11DDR1NOTUMNPSR1
SCHEMBL15599160 0.79 SCN9A (0.39) SCN9A
SCHEMBL24566218 0.76 IDO1 (0.44) KIF11IDO1DDR1NPSR1
SCHEMBL1445686 0.76 IDO1 (0.59) IDO1
SCHEMBL1230228 0.73 S1PR4 (0.32) DDR1NOTUMNPSR1
SCHEMBL16398716 0.73 SRD5A2 (0.47) KIF11IDO1NPSR1
SCHEMBL16399421 0.73 POLQ (0.43) IDO1
SCHEMBL32682782 0.73 SRD5A2 (0.47) KIF11IDO1NPSR1

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
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed