SCHEMBL6204438

SCHEMBL6204438

O=C(O)/C(O)=C/C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 2/20 0.57
MAPK1 P28482 1/20 0.56
USP2 O75604 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
WDR5 P61964 2/20 0.51
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MAPT P10636 1/20 0.48
SLC25A1 P53007 1/20 0.47
SLC16A3 O15427 1/20 0.46
NPC1 O15118 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL6204447 1.00 ITGA1 (0.57) ITGA1MAPK1USP2MEN1KMT2A
SCHEMBL6204444 1.00 ITGA1 (0.57) ITGA1MAPK1USP2MEN1KMT2A
SCHEMBL6207012 0.91 ITGA1 (0.69) ITGA1MAPK1USP2MEN1KMT2A
SCHEMBL6207007 0.91 ITGA1 (0.69) ITGA1MAPK1USP2MEN1KMT2A
SCHEMBL6204782 0.91 ITGA1 (0.69) ITGA1MAPK1USP2MEN1KMT2A
SCHEMBL6205383 0.88 ITGA1 (0.53) ITGA1USP2MEN1KMT2AWDR5
SCHEMBL6205102 0.88 ITGA1 (0.53) ITGA1USP2MEN1KMT2AWDR5
SCHEMBL6205381 0.88 ITGA1 (0.53) ITGA1USP2MEN1KMT2AWDR5
SCHEMBL6206115 0.87 ACLY (0.58) ITGA1USP2WDR5
SCHEMBL6206114 0.87 ACLY (0.58) ITGA1USP2WDR5

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