SCHEMBL3247016

SCHEMBL3247016

NCCn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.38
LMNA P02545 3/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 4/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
ICMT O60725 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CMA1 P23946 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL3241585 0.93 SLC22A12 (0.39) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3239881 0.93 SLC22A12 (0.37) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3243264 0.93 SLC22A12 (0.40) SLC22A12LMNACNR2ALDH1A1
SCHEMBL3239637 0.91 SLC22A12 (0.39) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3247125 0.91 CNR2 (0.41) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3240020 0.90 CNR2 (0.38) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3241672 0.90 PLA2G4A (0.38) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3239179 0.89 CNR2 (0.40) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3247047 0.89 CNR1 (0.39) SLC22A12LMNACNR2ALDH1A1TP53
SCHEMBL3245321 0.89 CNR2 (0.45) SLC22A12LMNACNR2TP53MAPT

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