SCHEMBL3241776

SCHEMBL3241776

CN(Cc1ccccc1)c1ccccc1Cc1ccc2c(c1)c(=O)c(OC(=O)O)cn2CCO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL3237627 0.92 TP53 (0.37) ALDH1A1LMNATP53MAPTRXFP1
SCHEMBL3243303 0.91 TP53 (0.38) ALDH1A1LMNATP53MAPTHTR6
SCHEMBL3235211 0.90 TP53 (0.36) ALDH1A1LMNATP53MAPTHTR6
SCHEMBL3239841 0.89 TP53 (0.37) ALDH1A1LMNATP53MAPTHTR6
SCHEMBL1043712 0.88 LMNA (0.43) ALDH1A1LMNAMAPT
SCHEMBL3246977 0.88 TP53 (0.36) ALDH1A1LMNATP53MAPTHTR6
SCHEMBL3246985 0.88 TP53 (0.37) ALDH1A1LMNATP53MAPTRXFP1
SCHEMBL3242661 0.87 TP53 (0.36) ALDH1A1LMNATP53MAPTMEN1
SCHEMBL3245273 0.85 MAPT (0.41) ALDH1A1LMNATP53MAPTRXFP1
SCHEMBL3234992 0.83 LMNA (0.38) ALDH1A1LMNATP53MAPTRXFP1

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