SCHEMBL3246552

SCHEMBL3246552

O=C(O)Oc1cn(CCCCCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.39
SLC22A12 Q96S37 1/20 0.36
LMNA P02545 3/20 0.35
HDAC3 O15379 1/20 0.34
ACLY P53396 1/20 0.34
CNR1 P21554 3/20 0.33
ALDH1A1 P00352 2/20 0.33
METTL3 Q86U44 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL3239179 0.99 CNR2 (0.40) CNR2SLC22A12LMNAHDAC3ACLY
SCHEMBL3240020 0.96 CNR2 (0.38) CNR2SLC22A12LMNAALDH1A1METTL3
SCHEMBL3239637 0.93 SLC22A12 (0.39) CNR2SLC22A12LMNAALDH1A1METTL3
SCHEMBL3247133 0.90 CNR2 (0.40) CNR2SLC22A12LMNAHDAC3ACLY
SCHEMBL3245321 0.90 CNR2 (0.45) CNR2SLC22A12LMNACNR1TP53
SCHEMBL3239861 0.89 CNR2 (0.39) CNR2SLC22A12LMNAALDH1A1TP53
SCHEMBL3241585 0.89 SLC22A12 (0.39) CNR2SLC22A12LMNAALDH1A1METTL3
SCHEMBL3247125 0.88 CNR2 (0.41) CNR2SLC22A12LMNACNR1ALDH1A1
SCHEMBL3243264 0.88 SLC22A12 (0.40) CNR2SLC22A12LMNAALDH1A1
SCHEMBL3247016 0.88 SLC22A12 (0.38) CNR2SLC22A12LMNAALDH1A1METTL3

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