SCHEMBL20979577

SCHEMBL20979577

O[n+]1cc(-c2c(F)ccc(Cl)c2F)ccc1C(Cc1ccccc1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.41
KLK1 P06870 4/20 0.41
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
PRCP P42785 4/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.31
F9 P00740 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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 0.90 F11 (0.49) F11KLK1HTTMEN1MAPT
SCHEMBL20979725 0.90 F11 (0.49) F11KLK1HTTMEN1MAPT
SCHEMBL17481099 0.90 F11 (0.48) F11KLK1HTTMEN1MAPT
SCHEMBL20979724 0.90 F11 (0.39) F11KLK1HTTMEN1MAPT
SCHEMBL20979507 0.89 F11 (0.35) F11KLK1PRCPPTPN1F9
SCHEMBL20979650 0.88 F11 (0.43) F11KLK1HTTMEN1MAPT
SCHEMBL19278462 0.81 F11 (0.38) F11KLK1PRCPLMNAPTPN1
SCHEMBL19278152 0.81 F11 (0.38) F11KLK1PRCPLMNAPTPN1
SCHEMBL17477793 0.81 F11 (0.58) F11KLK1HTTMEN1MAPT
SCHEMBL17477807 0.81 F11 (0.58) F11KLK1HTTMEN1MAPT

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