SCHEMBL6208434

SCHEMBL6208434

O=C(O)/C(O)=C\C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.58
ITGA1 P56199 2/20 0.51
PFKFB3 Q16875 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.43
FABP4 P15090 2/20 0.43
FABP5 Q01469 1/20 0.43
MAPT P10636 1/20 0.43
SLC25A1 P53007 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PFKFB4 Q16877 1/20 0.40

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
SCHEMBL6205283 1.00 WDR5 (0.58) WDR5ITGA1PFKFB3MEN1KMT2A
SCHEMBL6208436 1.00 WDR5 (0.58) WDR5ITGA1PFKFB3MEN1KMT2A
SCHEMBL6205304 0.92 WDR5 (0.54) WDR5ITGA1MEN1KMT2ANPC1
SCHEMBL6205307 0.92 WDR5 (0.54) WDR5ITGA1MEN1KMT2ANPC1
SCHEMBL6205309 0.92 WDR5 (0.54) WDR5ITGA1MEN1KMT2ANPC1
SCHEMBL6207012 0.86 ITGA1 (0.69) WDR5ITGA1PFKFB3MEN1KMT2A
SCHEMBL6204447 0.86 ITGA1 (0.57) WDR5ITGA1MEN1KMT2ANPC1
SCHEMBL6207007 0.86 ITGA1 (0.69) WDR5ITGA1PFKFB3MEN1KMT2A
SCHEMBL6204438 0.86 ITGA1 (0.57) WDR5ITGA1MEN1KMT2ANPC1
SCHEMBL6204782 0.86 ITGA1 (0.69) WDR5ITGA1PFKFB3MEN1KMT2A

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