SCHEMBL5232759

SCHEMBL5232759

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 5/20 0.38
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL5232754 0.86 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28785424 0.83 F2 (0.37) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5230088 0.82 RAPGEF4 (0.42) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5234368 0.81 LMNA (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5230249 0.76 TCF4 (0.38) F2PRSS1PRSS2PRSS3CA2
SCHEMBL5236783 0.74 LMNA (0.43) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28521918 0.73 F2 (0.36) RAPGEF4F2PRSS1PRSS2PRSS3
Hydroxyamine SCHEMBL259333 0.73 CA1 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL7930818 0.73 CA1 (0.58) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL10846507 0.73 CA1 (0.58) RAPGEF4F2PRSS1PRSS2PRSS3

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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