SCHEMBL6986546

SCHEMBL6986546

CS(=O)(=O)c1cc(N2CCCC(F)(NS(=O)(=O)c3ccc(F)c(Cl)c3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 3/20 0.38
IDH2 P48735 1/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL6980681 0.93 F10 (0.45) F10USP2HTTSMN1; SMN2PTGS2
SCHEMBL6985663 0.93 F10 (0.45) F10SMN1; SMN2PTGS2
SCHEMBL6989555 0.92 F10 (0.43) F10HTTPTGS2
SCHEMBL4680797 0.91 F10 (0.49) F10USP2HTTSMN1; SMN2PTGS2
SCHEMBL6985447 0.90 F10 (0.45) F10PTGS2
SCHEMBL6988024 0.87 F10 (0.45) F10SMN1; SMN2ACLY
SCHEMBL6992512 0.84 F10 (0.46) F10
SCHEMBL4680260 0.83 F10 (0.53) F10
SCHEMBL6982192 0.83 F10 (0.38) F10USP2SMN1; SMN2ACLY
SCHEMBL6990370 0.83 ALDH1A1 (0.36) F10HTT

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-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