SCHEMBL1920473

SCHEMBL1920473

COC(=O)Nc1ccc(-c2nc(C(N)Cc3ccn(Cc4ccc(OC)cc4)n3)[nH]c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.44
KLKB1 P03952 1/20 0.39
SNCA P37840 1/20 0.39
CACNA1G O43497 3/20 0.38
CACNA1H O95180 3/20 0.38
CACNA1I Q9P0X4 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1196822 1.00 F11 (0.44) F11KLKB1SNCACACNA1GCACNA1H
SCHEMBL1196922 0.85 F11 (0.47) F11KLKB1
SCHEMBL1196960 0.78 F11 (0.47) F11KLKB1
SCHEMBL1197057 0.78 F11 (0.63) F11KLKB1
SCHEMBL1197333 0.78 F11 (0.63) F11KLKB1
SCHEMBL1196804 0.76 F11 (0.74) F11KLKB1
SCHEMBL1197275 0.76 F11 (0.74) F11KLKB1
SCHEMBL8241654 0.76 F11 (0.51) F11KLKB1
SCHEMBL1196478 0.75 F11 (0.52) F11KLKB1
SCHEMBL1196737 0.74 F11 (0.49) F11KLKB1

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-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed