SCHEMBL6205307

SCHEMBL6205307

O=C(O)/C(O)=C\C(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.54
ITGA1 P56199 1/20 0.49
PGR P06401 1/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GHSR Q92847 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
PFKFB4 Q16877 1/20 0.43
PTGES2 Q9H7Z7 2/20 0.42
ITGAV P06756 1/20 0.42
POLB P06746 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6205304 1.00 WDR5 (0.54) WDR5ITGA1PGRNPC1MEN1
SCHEMBL6205309 1.00 WDR5 (0.54) WDR5ITGA1PGRNPC1MEN1
SCHEMBL6205283 0.92 WDR5 (0.58) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6208434 0.92 WDR5 (0.58) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6208436 0.92 WDR5 (0.58) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6205543 0.89 WDR5 (0.57) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6206630 0.89 WDR5 (0.57) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6206627 0.89 WDR5 (0.57) WDR5ITGA1NPC1MEN1KMT2A
SCHEMBL6205383 0.87 ITGA1 (0.53) WDR5ITGA1PGRNPC1MEN1
SCHEMBL6205102 0.87 ITGA1 (0.53) WDR5ITGA1PGRNPC1MEN1

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