SCHEMBL17481104

SCHEMBL17481104

CO[n+]1cc(-c2c(F)ccc(Cl)c2F)ccc1[C@H](Cc1ccc(F)cc1)c1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.42
KLK1 P06870 6/20 0.42
ALOX5 P09917 1/20 0.35
PTPN1 P18031 1/20 0.35
CHEK2 O96017 1/20 0.35
MLKL Q8NB16 2/20 0.34
NR4A2 P43354 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
PRCP P42785 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
SCHEMBL20979650 0.89 F11 (0.43) F11KLK1ALOX5PTPN1CHEK2
SCHEMBL17480784 0.89 F11 (0.52) F11KLK1
SCHEMBL17480787 0.89 F11 (0.52) F11KLK1
SCHEMBL20979725 0.84 F11 (0.49) F11KLK1MLKLPRCP
SCHEMBL20979584 0.84 F11 (0.49) F11KLK1MLKLPRCP
SCHEMBL17477807 0.83 F11 (0.58) F11KLK1
SCHEMBL17477793 0.83 F11 (0.58) F11KLK1
SCHEMBL17477791 0.83 F11 (0.58) F11KLK1
SCHEMBL20979507 0.80 F11 (0.35) F11KLK1PTPN1PRCP
SCHEMBL17480703 0.79 MLKL (0.39) F11KLK1CHEK2MLKLNR4A2

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
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO disclosed