SCHEMBL5038735

SCHEMBL5038735

CCO[C@H](C(=O)NCc1c(F)cc(C(=N)N)cc1F)c1c(F)cc(-c2ccc(N)nc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.45
KLKB1 P03952 9/20 0.37
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ST14 Q9Y5Y6 2/20 0.34
F2 P00734 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL5038731 1.00 F10 (0.45) F10KLKB1ALOX5APFEN1MKNK1
Acetic Acid SCHEMBL5041605 0.97 F10 (0.43) F10KLKB1ALOX5APFEN1MKNK1
SCHEMBL5042821 0.90 F10 (0.47) F10KLKB1MKNK1MKNK2ST14
Hydrochloric Acid SCHEMBL5041653 0.89 F10 (0.48) F10KLKB1MKNK1MKNK2ST14
SCHEMBL5043089 0.86 PDPK1 (0.37) F10KLKB1ALOX5APFEN1
SCHEMBL5043086 0.86 PDPK1 (0.37) F10KLKB1ALOX5APFEN1
SCHEMBL5037819 0.83 F10 (0.41) F10KLKB1ALOX5APFEN1MKNK1
SCHEMBL5037821 0.83 F10 (0.41) F10KLKB1ALOX5APFEN1MKNK1
Acetic Acid SCHEMBL5040924 0.81 F10 (0.64) F10KLKB1ALOX5APFEN1F2
SCHEMBL5043591 0.81 F10 (0.34) F10ALOX5APFEN1MKNK1MKNK2

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed