SCHEMBL6448878

SCHEMBL6448878

CO[C@H](C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.50
F2 P00734 16/20 0.47
MASP2 O00187 2/20 0.47
PKM P14618 1/20 0.47
KLKB1 P03952 1/20 0.43
TMPRSS6 Q8IU80 4/20 0.43
TPSAB1 Q15661 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL6448875 1.00 ST14 (0.50) ST14F2MASP2PKMKLKB1
Hydrochloric Acid SCHEMBL5040801 0.99 ST14 (0.49) ST14F2MASP2PKMKLKB1
Hydrochloric Acid SCHEMBL5040805 0.99 ST14 (0.49) ST14F2MASP2PKMKLKB1
SCHEMBL5037689 0.93 ST14 (0.46) ST14F2MASP2PKMKLKB1
SCHEMBL5037690 0.93 ST14 (0.46) ST14F2MASP2PKMKLKB1
SCHEMBL5044974 0.92 ST14 (0.46) ST14F2MASP2PKMTMPRSS6
Hydrochloric Acid SCHEMBL5047771 0.92 ST14 (0.46) ST14F2MASP2PKMKLKB1
Hydrochloric Acid SCHEMBL5047767 0.92 ST14 (0.46) ST14F2MASP2PKMKLKB1
SCHEMBL5044971 0.92 ST14 (0.46) ST14F2MASP2PKMTMPRSS6
Hydrochloric Acid SCHEMBL5043366 0.92 F2 (0.46) ST14F2MASP2PKMKLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed