SCHEMBL6983760

SCHEMBL6983760

CS(=O)(=O)c1cc(N2CCCC(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.50
PSEN1 P49768 9/20 0.49
PSEN2 P49810 9/20 0.49
APH1B Q8WW43 9/20 0.49
NCSTN Q92542 9/20 0.49
APH1A Q96BI3 9/20 0.49
PSENEN Q9NZ42 9/20 0.49
CNR2 P34972 1/20 0.41

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
SCHEMBL6989692 0.92 F10 (0.51) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL4680343 0.91 F10 (0.56) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL6988849 0.89 F10 (0.46) F10
SCHEMBL4681031 0.81 F10 (0.57) F10
SCHEMBL4681028 0.78 F10 (0.51) F10
SCHEMBL2699177 0.77 PSEN1 (0.50) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL6988224 0.77 F10 (0.47) F10
SCHEMBL4683642 0.75 F10 (0.66) F10
SCHEMBL6986900 0.72 PSEN1 (0.51) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL28704468 0.72 FPR2 (0.69)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed