SCHEMBL3240307

SCHEMBL3240307

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.39
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
CPT1A P50416 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 5/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTPN1 P18031 1/20 0.34
METTL3 Q86U44 1/20 0.34
CNR2 P34972 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
SCHEMBL3235857 0.91 SLC22A12 (0.38) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3241719 0.91 SLC22A12 (0.37) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3239189 0.90 SLC22A12 (0.37) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3245381 0.89 ALDH1A1 (0.41) SLC22A12LMNAHTTALDH1A1TP53
SCHEMBL1043702 0.88 HTT (0.47) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3241599 0.87 SLC22A12 (0.40) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3247125 0.87 CNR2 (0.41) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3245291 0.87 SLC22A12 (0.40) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3241859 0.87 SLC22A12 (0.40) SLC22A12LMNAGAAHTTCPT1A
SCHEMBL3235184 0.87 SLC22A12 (0.36) SLC22A12LMNAGAAHTTALDH1A1

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