SCHEMBL4776729

SCHEMBL4776729

COCN(c1cccnc1C(=O)O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.39
TP53 P04637 1/20 0.39
GRM4 Q14833 1/20 0.39
NAMPT P43490 1/20 0.38
ESR1 P03372 1/20 0.38
MEP1B Q16820 1/20 0.38

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
SCHEMBL125851 0.89 MAPT (0.42) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL5569866 0.89 POLB (0.44) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL125850 0.88 POLB (0.44) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL306788 0.87 TRPM8 (0.45) MAPTPTGDR2POLBL3MBTL1TRPM8
SCHEMBL125827 0.86 CYP3A4 (0.42) MAPTPTGDR2POLBL3MBTL1TRPM8
SCHEMBL12594275 0.85 LMNA (0.44) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL18707932 0.80 CYP3A4 (0.46) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL18714370 0.80 CYP3A4 (0.46) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL10223025 0.80 ALDH1A1 (0.45) MAPTPTGDR2POLBL3MBTL1LMNA
SCHEMBL15259946 0.79 MAPT (0.37) MAPTPTGDR2POLBL3MBTL1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed