SCHEMBL5515323

SCHEMBL5515323

O=c1[nH]c(=O)n(CF)c2nc[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.71
PDE4A P27815 9/20 0.71
PDE4B Q07343 9/20 0.71
PDE4C Q08493 9/20 0.71
PDE4D Q08499 9/20 0.71
ADORA2B P29275 8/20 0.68
ADORA3 P0DMS8 2/20 0.68
HPGD P15428 1/20 0.68
ADORA1 P30542 1/20 0.68
BLM P54132 1/20 0.68
PDE3A Q14432 1/20 0.68
HSD17B10 Q99714 1/20 0.68
PNP P00491 1/20 0.64
MPO P05164 3/20 0.51
TPO P07202 3/20 0.51

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
SCHEMBL7466316 0.83 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30488609 0.81 PDE4A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10980302 0.81 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3699117 0.81 PDE4A (0.73) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL1817246 0.81 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL156402 0.81 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6310571 0.80 ADORA2A (0.70) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5134359 0.80 ADORA2A (0.66) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9032111 0.78 PNP (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7602847 0.78 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed