SCHEMBL5043591

SCHEMBL5043591

CCOC(C(=O)N(CC(=O)O)Cc1c(F)cc(C(=N)N)cc1F)c1c(F)cc(-c2ccc(N)nc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.34
TMPRSS15 P98073 13/20 0.33
PRSS1 P07477 11/20 0.33
ALOX5AP P20292 5/20 0.32
FEN1 P39748 4/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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 0.81 F10 (0.45) F10ALOX5APFEN1MKNK1MKNK2
SCHEMBL5038735 0.81 F10 (0.45) F10ALOX5APFEN1MKNK1MKNK2
Acetic Acid SCHEMBL5041605 0.80 F10 (0.43) F10TMPRSS15PRSS1ALOX5APFEN1
SCHEMBL5045823 0.76 FEN1 (0.40) ALOX5APFEN1MKNK1MKNK2
SCHEMBL5042821 0.74 F10 (0.47) F10TMPRSS15PRSS1MKNK1MKNK2
SCHEMBL5045318 0.74 FEN1 (0.39) ALOX5APFEN1MKNK1MKNK2
Hydrochloric Acid SCHEMBL5041653 0.73 F10 (0.48) F10TMPRSS15PRSS1MKNK1MKNK2
Acetic Acid SCHEMBL5040924 0.70 F10 (0.64) F10TMPRSS15PRSS1ALOX5APFEN1
SCHEMBL5037821 0.68 F10 (0.41) F10ALOX5APFEN1MKNK1MKNK2
SCHEMBL5037819 0.68 F10 (0.41) 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