SCHEMBL3241719

SCHEMBL3241719

NS(=O)(=O)Cn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METTL3 Q86U44 1/20 0.32
PTPN1 P18031 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3240307 0.91 SLC22A12 (0.39) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3239189 0.89 SLC22A12 (0.37) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL1045975 0.88 HTT (0.47) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3247056 0.87 SLC22A12 (0.38) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3247016 0.87 SLC22A12 (0.38) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3239774 0.87 LMNA (0.46) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3246470 0.87 SLC22A12 (0.41) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3245381 0.87 ALDH1A1 (0.41) SLC22A12HTTLMNAALDH1A1TP53
SCHEMBL3239637 0.86 SLC22A12 (0.39) SLC22A12GAAHTTLMNAALDH1A1
SCHEMBL3241585 0.86 SLC22A12 (0.39) SLC22A12GAAHTTLMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed