SCHEMBL5260829

SCHEMBL5260829

O=C(CC1CN(C(=O)O)Cc2[nH]ncc21)Sc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
CDK8 P49336 1/20 0.32
CDK9 P50750 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL4694922 0.71 PDGFRA (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5880879 0.61 HTR6 (0.46)
SCHEMBL2389480 0.60 NAMPT (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8428350 0.59 ITGB1 (0.53)
SCHEMBL8428351 0.59 ITGB1 (0.53)
SCHEMBL17317692 0.57 NAMPT (0.47) NAMPT
SCHEMBL24523122 0.57 FFAR1 (0.48)
SCHEMBL3083874 0.57 ALDH1A1 (0.52)
SCHEMBL22319818 0.56 ACE (0.38) NAMPT
SCHEMBL18214923 0.56 GRIN1 (0.43)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed