SCHEMBL2297172

SCHEMBL2297172

OCc1cc(F)c(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
IDO1 P14902 2/20 0.33
ADRB2 P07550 4/20 0.32
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 0.31
USP28 Q96RU2 1/20 0.30
USP25 Q9UHP3 1/20 0.30
NOTUM Q6P988 1/20 0.30
POLQ O75417 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
SCHEMBL24697715 0.79 KDM1A (0.36) KDM1AKCNH2KDM1B
SCHEMBL2964967 0.79 HSP90AA1 (0.41) KIF11HSP90AA1HSP90AB1IDO1NOTUM
SCHEMBL19491471 0.78 KIF11 (0.40) KIF11HSP90AA1HSP90AB1PTPN7DUSP3
SCHEMBL856379 0.77 KDM1A (0.39) KDM1AKCNH2KDM1BUSP28
SCHEMBL16637281 0.77 KIF11 (0.39) KIF11PTPN7DUSP3ADRB2USP28
SCHEMBL2301196 0.77 KIF11 (0.39) KIF11HSP90AA1HSP90AB1IDO1KDM1A
SCHEMBL1773032 0.75 PTPN1 (0.37) KDM1AKCNH2KDM1B
SCHEMBL3873033 0.75 KIF11 (0.47) KIF11HSP90AA1HSP90AB1PTPN7DUSP3
SCHEMBL30574768 0.75 PTPN1 (0.37) KDM1AKCNH2KDM1B
SCHEMBL4576842 0.74 CYP11B1 (0.38) KIF11PTPN7DUSP3KDM1AKCNH2

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