SCHEMBL7541961

SCHEMBL7541961

CCCCCCCCCCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNH2 Q12809 1/20 0.55
TXNRD1 Q16881 4/20 0.51
GSR P00390 1/20 0.51
ASAH2 Q9NR71 1/20 0.51
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46

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
SCHEMBL7538187 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL11134832 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL30426244 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL17603652 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL7537992 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL15060955 0.93 MAPT (0.50) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL25118612 0.86 CA1 (0.52) ALDH1A1MAPTKMT2ACA12CA1
SCHEMBL7356440 0.85 CA2 (0.47) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL7356445 0.83 CA2 (0.60) ALDH1A1KMT2AASAH2CA12CA1
SCHEMBL20468019 0.83 CA2 (0.50) ALDH1A1CA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200454-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE Novuspharma S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001009149-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed