SCHEMBL5232754

SCHEMBL5232754

CS(=O)(=O)c1ccc[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 7/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5232759 0.86 RAPGEF4 (0.38) RAPGEF4FFAR4TDP1F2PRSS1
SCHEMBL5384451 0.85 RAPGEF4 (0.41) RAPGEF4FFAR4TDP1F2PRSS1
SCHEMBL3073386 0.85 RAPGEF4 (0.38) RAPGEF4FFAR4LMNAMAPTHTT
SCHEMBL3461956 0.83 RAPGEF4 (0.39) RAPGEF4TDP1F2PRSS1PRSS2
SCHEMBL1290843 0.82 RAPGEF4 (0.38) RAPGEF4FFAR4TDP1F2PRSS1
SCHEMBL5230082 0.82 RAPGEF4 (0.45) RAPGEF4TDP1F2PRSS1PRSS2
SCHEMBL2968699 0.82 RAPGEF4 (0.38) RAPGEF4FFAR4TDP1F2PRSS1
SCHEMBL29489025 0.82 RAPGEF4 (0.38) RAPGEF4FFAR4TDP1F2PRSS1
SCHEMBL5234362 0.81 LMNA (0.41) RAPGEF4FFAR4TDP1LMNACA2
SCHEMBL1694111 0.81 RAPGEF4 (0.41) RAPGEF4FFAR4TDP1F2PRSS1

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
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 — — EP disclosed
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