SCHEMBL6985663

SCHEMBL6985663

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR7 P34969 3/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR6 P50406 2/20 0.36
SLC6A9 P48067 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
SCHEMBL6986546 0.93 F10 (0.42) F10SMN1; SMN2PTGS2
SCHEMBL4680260 0.90 F10 (0.53) F10
SCHEMBL6989555 0.90 F10 (0.43) F10LMNAPTGS1PTGS2
SCHEMBL6985447 0.89 F10 (0.45) F10HTR7PTGS1PTGS2HTR1A
SCHEMBL6980681 0.89 F10 (0.45) F10LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL6992512 0.86 F10 (0.46) F10HTR6
SCHEMBL6982192 0.85 F10 (0.38) F10SMN1; SMN2SLC6A9
SCHEMBL6988024 0.84 F10 (0.45) F10LMNASMN1; SMN2
SCHEMBL4680797 0.83 F10 (0.49) F10SMN1; SMN2PTGS2
SCHEMBL6990370 0.81 ALDH1A1 (0.36) F10LMNADRD2

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