SCHEMBL8534686

SCHEMBL8534686

NC(=O)Nc1cccc(S(=O)(=O)c2cccc(C(CC(=O)O)c3ccccc3)c2N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.44
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8532235 0.92 CA1 (0.40) FEN1CA1CA2CA12CA9
SCHEMBL8532987 0.92 ITGB3 (0.38) FEN1CA1CA2CA12CA9
SCHEMBL8534198 0.81 LMNA (0.40) FEN1CA1CA2CA12CA9
SCHEMBL8534236 0.77 CA1 (0.40) FEN1CA1CA2CA12CA9
SCHEMBL7856530 0.76 CA1 (0.54) CA1CA2MAPTITGB3ITGAV
SCHEMBL8532217 0.71 KDM4E (0.45) CA1CA2CA12CA9LMNA
SCHEMBL2836646 0.69 MEN1 (0.47) CA1CA2CA9LMNASMN1; SMN2
SCHEMBL2842084 0.69 KMT2A (0.45) CA1CA2CA12CA9LMNA
SCHEMBL8534762 0.69 MMP1 (0.39) CA1CA2CA12CA9LMNA
SCHEMBL30360302 0.69 MAPT (0.46) CA1CA2CA12CA9LMNA

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
US-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed