SCHEMBL20979650

SCHEMBL20979650

O=C(O)c1ccc2[nH]c([C@H](Cc3ccc(F)cc3)c3ccc(-c4c(F)ccc(Cl)c4F)c[n+]3O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.43
KLK1 P06870 7/20 0.43
NR4A2 P43354 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PTPN1 P18031 2/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
PRCP P42785 1/20 0.33
CHEK2 O96017 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
SCHEMBL20979584 0.94 F11 (0.49) F11KLK1MEN1MAPTCRHBP
SCHEMBL20979725 0.94 F11 (0.49) F11KLK1MEN1MAPTCRHBP
SCHEMBL17480787 0.92 F11 (0.52) F11KLK1
SCHEMBL17480784 0.92 F11 (0.52) F11KLK1
SCHEMBL17481104 0.89 F11 (0.42) F11KLK1NR4A2EGLN1PTPN1
SCHEMBL20979507 0.89 F11 (0.35) F11KLK1PTPN1PRCP
SCHEMBL20979577 0.88 F11 (0.41) F11KLK1PTPN1MEN1MAPT
SCHEMBL17477807 0.86 F11 (0.58) F11KLK1MEN1MAPTCRHBP
SCHEMBL17477793 0.86 F11 (0.58) F11KLK1MEN1MAPTCRHBP
SCHEMBL17477791 0.86 F11 (0.58) F11KLK1MEN1MAPTCRHBP

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-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed