SCHEMBL3234992

SCHEMBL3234992

O=C(O)Oc1cn(CCO)c2ccc(Cc3ccccc3O)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 4/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 5/20 0.36
RXFP1 Q9HBX9 2/20 0.35
PLA2G4A P47712 1/20 0.35
KEAP1 Q14145 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
SCHEMBL3245273 0.90 MAPT (0.41) LMNAALDH1A1TP53MAPTRXFP1
SCHEMBL3242293 0.89 LMNA (0.38) LMNAALDH1A1TP53MAPTRXFP1
SCHEMBL3246491 0.89 TSHR (0.40) LMNAALDH1A1TP53MAPT
SCHEMBL3232426 0.89 LMNA (0.38) LMNAALDH1A1TP53MAPTRXFP1
SCHEMBL3245011 0.89 LMNA (0.40) LMNAALDH1A1TP53MAPT
SCHEMBL3242538 0.88 CNR2 (0.40) LMNAALDH1A1TP53
SCHEMBL3246615 0.87 MAPT (0.40) LMNAALDH1A1TP53THRBMAPT
SCHEMBL1046002 0.86 LMNA (0.46) LMNAALDH1A1MAPT
SCHEMBL3243303 0.86 TP53 (0.38) LMNAALDH1A1TP53MAPTRXFP1
SCHEMBL3241708 0.86 TP53 (0.42) LMNAALDH1A1TP53THRBMAPT

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