SCHEMBL9634828

SCHEMBL9634828

CCOc1cc(OCCO)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.45
PDE10A Q9Y233 2/20 0.43
GCGR P47871 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL9634798 0.96 PDE5A (0.47) PDE5APDE10AGCGRMAPK13MAPK12
SCHEMBL9636138 0.93 PDE5A (0.46) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL7279872 0.91 CBFB (0.46) PDE5APDE10AGCGRMAPK13MAPK12
SCHEMBL9635705 0.88 PDE2A (0.47) PDE5AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11019225 0.87 PDE5A (0.42) PDE5APDE10AGCGRMAPK13MAPK12
SCHEMBL7272286 0.87 PDE2A (0.50) PDE5AKDM4EALDH1A1HPGDNPC1
SCHEMBL9636307 0.87 PDE5A (0.39) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9635840 0.87 PDE5A (0.39) PDE5APDE10AGCGRMAPK13MAPK12
SCHEMBL9634904 0.87 PDE5A (0.39) PDE5AGCGRMAPK13MAPK12MAPK11
SCHEMBL9635832 0.85 CHEK2 (0.42) PDE5AKDM4EALDH1A1HPGDMAPT

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