SCHEMBL6205543

SCHEMBL6205543

Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(C(=O)/C=C(\O)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.57
PFKFB4 Q16877 3/20 0.48
NPC1 O15118 1/20 0.47
ITGA1 P56199 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
PFKFB3 Q16875 2/20 0.44
HSD11B1 P28845 2/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6206630 1.00 WDR5 (0.57) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6206627 1.00 WDR5 (0.57) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205309 0.89 WDR5 (0.54) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205304 0.89 WDR5 (0.54) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205307 0.89 WDR5 (0.54) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6204503 0.86 HSD17B1 (0.52) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205979 0.86 HSD17B1 (0.52) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205977 0.86 HSD17B1 (0.52) WDR5PFKFB4NPC1ITGA1MEN1
SCHEMBL6205383 0.85 ITGA1 (0.53) WDR5NPC1ITGA1MEN1KMT2A
SCHEMBL6205381 0.85 ITGA1 (0.53) WDR5NPC1ITGA1MEN1KMT2A

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