SCHEMBL6980681

SCHEMBL6980681

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.45
PTGS2 P35354 2/20 0.34
CTSG P08311 2/20 0.33
CMA1 P23946 2/20 0.33
PARG Q86W56 1/20 0.33
ACLY P53396 2/20 0.33
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
GLA P06280 1/20 0.32

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) F10PTGS2ACLYUSP2HTT
SCHEMBL6989555 0.91 F10 (0.43) F10PTGS2LMNAHTTALDH1A1
SCHEMBL6985447 0.90 F10 (0.45) F10PTGS2PTGS1
SCHEMBL6985663 0.89 F10 (0.45) F10PTGS2LMNASMN1; SMN2PTGS1
SCHEMBL6988024 0.88 F10 (0.45) F10ACLYLMNASMN1; SMN2ALDH1A1
SCHEMBL6992512 0.85 F10 (0.46) F10CTSGCMA1
SCHEMBL6982192 0.84 F10 (0.38) F10CTSGCMA1PARGACLY
SCHEMBL4680797 0.84 F10 (0.49) F10PTGS2USP2HTTSMN1; SMN2
SCHEMBL6990370 0.84 ALDH1A1 (0.36) F10LMNAHTTNPSR1ALDH1A1
SCHEMBL4686406 0.81 F10 (0.50) F10PTGS2HTTALDH1A1MAPT

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