SCHEMBL6989555

SCHEMBL6989555

CS(=O)(=O)c1cc(N2CCCC(F)(NS(=O)(=O)c3ccc(Cl)cc3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.43
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
KAT6A Q92794 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 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
SCHEMBL6986546 0.92 F10 (0.42) F10HTTPTGS2
SCHEMBL6980681 0.91 F10 (0.45) F10ALDH1A1MAPTHTTLMNA
SCHEMBL6985447 0.91 F10 (0.45) F10MEN1KMT2APTGS2PTGS1
SCHEMBL6985663 0.90 F10 (0.45) F10LMNAPTGS2PTGS1
SCHEMBL6988024 0.90 F10 (0.45) F10ALDH1A1MAPTMEN1GAA
SCHEMBL4686406 0.89 F10 (0.50) F10ALDH1A1MAPTMAPK1MEN1
SCHEMBL6990370 0.85 ALDH1A1 (0.36) F10ALDH1A1MAPTGAAHTT
SCHEMBL6992512 0.85 F10 (0.46) F10L3MBTL1FPR2
SCHEMBL6982192 0.84 F10 (0.38) F10MAPK1
SCHEMBL4680650 0.83 F10 (0.51) F10FPR1FPR2

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