SCHEMBL6985447

SCHEMBL6985447

CS(=O)(=O)c1cc(N2CCCC(F)(NS(=O)(=O)c3cccc(Cl)c3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
PGR P06401 2/20 0.36
HTR1A P08908 4/20 0.36
HTR7 P34969 4/20 0.36
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
NAT1 P18440 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6989555 0.91 F10 (0.43) F10PTGS2PTGS1MEN1KMT2A
SCHEMBL4681110 0.91 F10 (0.53) F10
SCHEMBL6986546 0.90 F10 (0.42) F10PTGS2
SCHEMBL6980681 0.90 F10 (0.45) F10PTGS2PTGS1
SCHEMBL6985663 0.89 F10 (0.45) F10PTGS2PTGS1HTR1AHTR7
SCHEMBL6992512 0.88 F10 (0.46) F10PGRHTR6
SCHEMBL6988024 0.88 F10 (0.45) F10PGRMEN1KMT2A
SCHEMBL6982192 0.88 F10 (0.38) F10PGR
SCHEMBL6990370 0.84 ALDH1A1 (0.36) F10DRD2
SCHEMBL4680650 0.83 F10 (0.51) 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