SCHEMBL6205432

SCHEMBL6205432

N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)/C=C(\O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.51
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
ATIC P31939 1/20 0.43
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
WDR5 P61964 1/20 0.42
ITGA1 P56199 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 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
SCHEMBL6207659 1.00 SLC22A12 (0.51) SLC22A12HSP90AA1HSP90AB1KMT2AHSD17B1
SCHEMBL6207661 1.00 SLC22A12 (0.51) SLC22A12HSP90AA1HSP90AB1KMT2AHSD17B1
SCHEMBL6206539 0.84 TSHR (0.57) WDR5ITGA1FABP4FABP5
SCHEMBL6206726 0.84 TSHR (0.57) WDR5ITGA1FABP4FABP5
SCHEMBL6206728 0.84 TSHR (0.57) WDR5ITGA1FABP4FABP5
SCHEMBL6205304 0.80 WDR5 (0.54) KMT2AWDR5ITGA1FABP4FABP5
SCHEMBL6205307 0.80 WDR5 (0.54) KMT2AWDR5ITGA1FABP4FABP5
SCHEMBL6205309 0.80 WDR5 (0.54) KMT2AWDR5ITGA1FABP4FABP5
SCHEMBL6205383 0.78 ITGA1 (0.53) KMT2AWDR5ITGA1FABP4FABP5
SCHEMBL6205381 0.78 ITGA1 (0.53) KMT2AWDR5ITGA1FABP4FABP5

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