SCHEMBL5043489

SCHEMBL5043489

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(Oc2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
KLKB1 P03952 2/20 0.42
MAPK14 Q16539 1/20 0.42
F2 P00734 10/20 0.39
TMPRSS6 Q8IU80 7/20 0.39
HTR2C P28335 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PRSS1 P07477 1/20 0.38
F7 P08709 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
F9 P00740 1/20 0.38
FURIN P09958 1/20 0.37

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
SCHEMBL5043494 1.00 F10 (0.47) F10KLKB1MAPK14F2TMPRSS6
Hydrochloric Acid SCHEMBL5045406 0.99 F10 (0.48) F10KLKB1MAPK14F2TMPRSS6
Hydrochloric Acid SCHEMBL5045401 0.99 F10 (0.48) F10KLKB1MAPK14F2TMPRSS6
Hydrochloric Acid SCHEMBL5041541 0.90 F10 (0.49) F10KLKB1F2LOXLOXL2
Hydrochloric Acid SCHEMBL5041535 0.90 F10 (0.49) F10KLKB1F2LOXLOXL2
Hydrochloric Acid SCHEMBL5037788 0.88 F10 (0.54) F10KLKB1MAPK14F2TMPRSS6
Hydrochloric Acid SCHEMBL5037782 0.88 F10 (0.54) F10KLKB1MAPK14F2TMPRSS6
SCHEMBL6068687 0.85 MAPK14 (0.43) F10KLKB1MAPK14EPHX2PPARG
Hydrochloric Acid SCHEMBL5045148 0.85 F10 (0.47) F10KLKB1F2LOXLOXL2
Hydrochloric Acid SCHEMBL5045137 0.85 F10 (0.47) F10KLKB1F2LOXLOXL2

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 disclosed