SCHEMBL3241599

SCHEMBL3241599

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
MAPT P10636 6/20 0.39
TP53 P04637 6/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
METTL3 Q86U44 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL3246470 0.92 SLC22A12 (0.41) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3246511 0.91 TP53 (0.44) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3247056 0.91 SLC22A12 (0.38) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3245381 0.90 ALDH1A1 (0.41) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3242547 0.90 SLC22A12 (0.38) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3247125 0.89 CNR2 (0.41) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3245291 0.89 SLC22A12 (0.40) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3241859 0.89 SLC22A12 (0.40) SLC22A12MAPTTP53POLBLMNA
SCHEMBL3239774 0.89 LMNA (0.46) SLC22A12MAPTTP53LMNAALDH1A1
SCHEMBL3239637 0.88 SLC22A12 (0.39) SLC22A12MAPTTP53POLBLMNA

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