SCHEMBL6205157

SCHEMBL6205157

O=C(O)/C(O)=C\C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SLC25A1 P53007 2/20 0.53
DNMT1 P26358 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
HSPD1 P10809 2/20 0.47
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN5 P54829 2/20 0.47
HSPE1 P61604 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
VCAM1 P19320 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 1/20 0.45
WDR5 P61964 1/20 0.44

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
SCHEMBL6204952 1.00 KMT2A (0.53) KMT2AMEN1SLC25A1DNMT1DNMT3A
SCHEMBL6205161 1.00 KMT2A (0.53) KMT2AMEN1SLC25A1DNMT1DNMT3A
SCHEMBL6205259 0.87 KMT2A (0.59) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL6205252 0.87 KMT2A (0.59) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL6205255 0.87 KMT2A (0.59) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL24215474 0.86 MEN1 (0.70) KMT2AMEN1SLC25A1DNMT1DNMT3A
SCHEMBL30515749 0.86 MEN1 (0.70) KMT2AMEN1SLC25A1DNMT1DNMT3A
SCHEMBL6205955 0.84 CASP3 (0.61) KMT2ASLC25A1MAPTCASP3SENP8
SCHEMBL6205953 0.84 CASP3 (0.61) KMT2ASLC25A1MAPTCASP3SENP8
SCHEMBL6205956 0.84 CASP3 (0.61) KMT2ASLC25A1MAPTCASP3SENP8

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