SCHEMBL3840318

SCHEMBL3840318

COc1ccc2c(c1)[N]C(=O)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CA2 P00918 4/20 0.38
CA5A P35218 2/20 0.38
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GSTP1 P09211 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35

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
SCHEMBL9158999 0.76 PDE3B (0.45) PDE3BPDE3A
SCHEMBL322514 0.72 TRPA1 (0.39) GAACA2CA5ATRPA1KDM4E
SCHEMBL20299615 0.70 TRPA1 (0.38) CA2TRPA1KDM4EALDH1A1NPC1
SCHEMBL8884488 0.69 CA2 (0.50) GAACA2CA5AKDM4EALDH1A1
SCHEMBL31439223 0.68 CA2 (0.50) GAACA2CA5AKDM4EALDH1A1
SCHEMBL7038422 0.68 CA2 (0.50) GAACA2CA5AKDM4EALDH1A1
SCHEMBL1448079 0.68 CYP11B1 (0.39) GAACA2CA5ATRPA1KDM4E
SCHEMBL2529848 0.66 PTPRC (0.55) GAACA2CA5AKDM4EALDH1A1
SCHEMBL2072155 0.66 ALDH1A1 (0.44) GAACA5ATRPA1KDM4EALDH1A1
SCHEMBL18055910 0.65 ALOX5 (0.53) GAACA2CA5AKDM4EALDH1A1

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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed