SCHEMBL5236778

SCHEMBL5236778

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAPGEF4 Q8WZA2 5/20 0.39
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37

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
SCHEMBL5234362 0.89 LMNA (0.41) LMNASMN1; SMN2MCOLN3L3MBTL1ALDH1A1
SCHEMBL1694111 0.86 RAPGEF4 (0.41) LMNASMN1; SMN2MCOLN3L3MBTL1ALDH1A1
SCHEMBL1823536 0.86 RAPGEF4 (0.49) LMNARAPGEF4CA1CA2CA9
SCHEMBL5236783 0.85 LMNA (0.43) LMNASMN1; SMN2MCOLN3L3MBTL1ALDH1A1
SCHEMBL20854534 0.81 RAPGEF4 (0.40) LMNASMN1; SMN2MCOLN3L3MBTL1ALDH1A1
SCHEMBL21835146 0.79 RAPGEF4 (0.55) LMNASMN1; SMN2L3MBTL1ALDH1A1RAPGEF4
SCHEMBL1048207 0.79 CA12 (0.46) SMN1; SMN2L3MBTL1CA1CA2CA9
SCHEMBL5384451 0.79 RAPGEF4 (0.41) LMNASMN1; SMN2MCOLN3L3MBTL1ALDH1A1
SCHEMBL22228647 0.78 RAPGEF4 (0.39) LMNASMN1; SMN2L3MBTL1ALDH1A1RAPGEF4
SCHEMBL1810783 0.78 RAPGEF4 (0.38) ALDH1A1RAPGEF4CA1CA2CA9

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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