SCHEMBL9634583

SCHEMBL9634583

CCOc1cc(OCC(=O)OC)ccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.60
PDE5A O76074 12/20 0.59
PDE4A P27815 5/20 0.51
PDE4B Q07343 5/20 0.51
PDE4C Q08493 5/20 0.51
PDE4D Q08499 5/20 0.51
KMT2A Q03164 2/20 0.50
AURKA O14965 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FAAH O00519 1/20 0.46

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
SCHEMBL9634958 0.95 PDE2A (0.64) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9636183 0.92 PDE5A (0.59) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9636415 0.92 PDE2A (0.72) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9635750 0.90 PDE5A (0.61) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9635727 0.89 PDE2A (0.58) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9634776 0.89 PDE2A (0.56) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9635676 0.89 PDE2A (0.56) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9634845 0.88 PDE2A (0.56) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9635684 0.87 PDE2A (0.68) PDE2APDE5APDE4APDE4BPDE4C
SCHEMBL9634893 0.87 PDE2A (0.56) PDE2APDE5APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed