SCHEMBL5043621

SCHEMBL5043621

COc1cc(F)c(C(OC)C(=O)NCc2ccc(C(=N)N)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.48
ST14 Q9Y5Y6 1/20 0.47
PKM P14618 1/20 0.42
F10 P00742 2/20 0.42
F7 P08709 2/20 0.42
PRSS1 P07477 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MASP2 O00187 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PROC P04070 1/20 0.41

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
SCHEMBL5041447 1.00 F2 (0.48) F2ST14PKMF10F7
SCHEMBL5041146 1.00 F2 (0.48) F2ST14PKMF10F7
Hydrochloric Acid SCHEMBL5040997 0.99 F2 (0.48) F2ST14PKMF10F7
Hydrochloric Acid SCHEMBL5041002 0.99 F2 (0.48) F2ST14PKMF10F7
Hydrochloric Acid SCHEMBL5041941 0.90 F10 (0.53) F2ST14F10F7PRSS1
Hydrochloric Acid SCHEMBL5041921 0.90 F10 (0.53) F2ST14F10F7PRSS1
Hydrochloric Acid SCHEMBL5042567 0.88 ST14 (0.46) F2ST14PKMF10F7
Hydrochloric Acid SCHEMBL5042563 0.88 ST14 (0.46) F2ST14PKMF10F7
SCHEMBL6448878 0.88 ST14 (0.50) F2ST14PKMF10PRSS1
SCHEMBL6448875 0.88 ST14 (0.50) F2ST14PKMF10PRSS1

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