SCHEMBL7454429

SCHEMBL7454429

COC(=O)C=Cc1ccc(F)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
APP P05067 1/20 0.54
PTPN1 P18031 1/20 0.51
FDPS P14324 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
JAK2 O60674 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
BACE1 P56817 2/20 0.44

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
SCHEMBL29010765 1.00 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL29388506 1.00 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL7454427 1.00 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL922101 0.85 TTR (0.57) TTRAPPFDPSCA12CA1
SCHEMBL922100 0.85 TTR (0.57) TTRAPPFDPSCA12CA1
SCHEMBL19538090 0.84 APP (0.68) TTRAPPPTPN1FDPSCA12
SCHEMBL4023879 0.83 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL4023881 0.83 TTR (0.54) TTRAPPPTPN1FDPSCA12
SCHEMBL6031435 0.82 APP (0.50) TTRAPPPTPN1FDPSCA12
SCHEMBL6031437 0.82 APP (0.50) TTRAPPPTPN1FDPSCA12

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-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed