SCHEMBL6205955

SCHEMBL6205955

O=C(O)/C(O)=C\C(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 4/20 0.53
PGR P06401 1/20 0.52
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6205953 1.00 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205956 1.00 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL8366106 0.85 CASP3 (0.81) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205161 0.84 KMT2A (0.53) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6204952 0.84 KMT2A (0.53) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205157 0.84 KMT2A (0.53) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6204555 0.82 PGR (0.59) KMT2APKMALDH1A1PGRKDM4E
SCHEMBL6204561 0.82 PGR (0.59) KMT2APKMALDH1A1PGRKDM4E
SCHEMBL6204559 0.82 PGR (0.59) KMT2APKMALDH1A1PGRKDM4E
SCHEMBL6204568 0.81 AKR1C3 (0.61) KMT2APKMALDH1A1PGRMAPT

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