SCHEMBL3246977

SCHEMBL3246977

CC(C)N(C)c1ccccc1Cc1ccc2c(c1)c(=O)c(OC(=O)O)cn2CCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HTR6 P50406 1/20 0.34
RXFP1 Q9HBX9 2/20 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
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3243303 0.91 TP53 (0.38) TP53LMNAMAPTALDH1A1HTR6
SCHEMBL3235211 0.89 TP53 (0.36) TP53LMNAMAPTALDH1A1HTR6
SCHEMBL3242661 0.89 TP53 (0.36) TP53LMNAMAPTALDH1A1RXFP1
SCHEMBL3239841 0.89 TP53 (0.37) TP53LMNAMAPTALDH1A1HTR6
SCHEMBL3237627 0.89 TP53 (0.37) TP53LMNAMAPTALDH1A1RXFP1
SCHEMBL1045361 0.88 LMNA (0.43) TP53LMNAMAPTALDH1A1PDE4A
SCHEMBL3241776 0.88 ALDH1A1 (0.36) TP53LMNAMAPTALDH1A1HTR6
SCHEMBL3246985 0.88 TP53 (0.37) TP53LMNAMAPTALDH1A1RXFP1
SCHEMBL3245273 0.85 MAPT (0.41) TP53LMNAMAPTALDH1A1RXFP1
SCHEMBL3243355 0.84 ALDH1A1 (0.40) TP53LMNAMAPTALDH1A1RXFP1

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