SCHEMBL3239189

SCHEMBL3239189

CN(C)S(=O)(=O)Cn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.37
LMNA P02545 4/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33
METTL3 Q86U44 1/20 0.33

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 0.90 SLC22A12 (0.39) SLC22A12LMNAHTTALDH1A1GAA
SCHEMBL3241719 0.89 SLC22A12 (0.37) SLC22A12LMNAHTTALDH1A1GAA
SCHEMBL1076473 0.89 LMNA (0.47) SLC22A12LMNAHTTKDM4EALDH1A1
SCHEMBL3237310 0.86 SLC22A12 (0.39) SLC22A12LMNAHTTKDM4EALDH1A1
SCHEMBL3245381 0.86 ALDH1A1 (0.41) SLC22A12LMNAHTTKDM4EALDH1A1
SCHEMBL3242547 0.86 SLC22A12 (0.38) SLC22A12LMNAALDH1A1TP53POLB
SCHEMBL3239892 0.86 HTR6 (0.41) SLC22A12LMNAALDH1A1TP53POLB
SCHEMBL3235857 0.85 SLC22A12 (0.38) SLC22A12LMNAHTTALDH1A1GAA
SCHEMBL3247125 0.85 CNR2 (0.41) SLC22A12LMNAALDH1A1TP53POLB
SCHEMBL3241859 0.85 SLC22A12 (0.40) SLC22A12LMNAHTTALDH1A1GAA

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