SCHEMBL6980798

SCHEMBL6980798

CS(=O)(=O)c1cc(N2CCCC(F)(c3sc(S(N)(=O)=O)c(Cl)c3Cl)C2=O)ccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
F10 P00742 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31
FPR2 P25090 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL6990369 0.80 F10 (0.33) F10PIK3CD
SCHEMBL4680888 0.79 F10 (0.39) F10FPR2
SCHEMBL6989413 0.79 ALOX5AP (0.33) LOXL2F10KDM4EALDH1A1MAPT
SCHEMBL6990707 0.77 F10 (0.40) LOXL2F10KDM4EALDH1A1MAPT
SCHEMBL6985332 0.77 ADORA2A (0.35) F10
SCHEMBL6614516 0.75 LOXL2 (0.37) LOXL2F10
SCHEMBL6980681 0.73 F10 (0.45) F10ALDH1A1MAPTNPSR1
SCHEMBL6989555 0.72 F10 (0.43) F10ALDH1A1MAPTFPR2
SCHEMBL6988024 0.71 F10 (0.45) F10ALDH1A1MAPTFPR2
SCHEMBL6985447 0.71 F10 (0.45) F10

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