SCHEMBL6205183

SCHEMBL6205183

O=C(O)/C(O)=C/C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.49
PGR P06401 3/20 0.48
PFKFB3 Q16875 1/20 0.46
CYP19A1 P11511 1/20 0.46
ITGA1 P56199 3/20 0.46
HSD11B1 P28845 1/20 0.46
ACLY P53396 1/20 0.45
CYP3A4 P08684 1/20 0.44
WDR5 P61964 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL6205517 1.00 MEN1 (0.49) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6205518 1.00 MEN1 (0.49) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204559 0.92 PGR (0.59) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204555 0.92 PGR (0.59) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204561 0.92 PGR (0.59) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204122 0.87 ITGA1 (0.50) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204114 0.87 ITGA1 (0.50) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6204118 0.87 ITGA1 (0.50) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6205252 0.86 KMT2A (0.59) MEN1KMT2APOLBPGRPFKFB3
SCHEMBL6205255 0.86 KMT2A (0.59) MEN1KMT2APOLBPGRPFKFB3

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-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed