SCHEMBL9636149

SCHEMBL9636149

CCOc1cc(OCC(=O)OC)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 3/20 0.38
PDE2A O00408 1/20 0.37
CBFB Q13951 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL9636021 0.95 PDE5A (0.42) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9635556 0.92 PDE3B (0.47) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9635076 0.92 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634389 0.90 MAPT (0.45) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9634642 0.89 PDE3B (0.48) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9635747 0.89 LMNA (0.42) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9634873 0.89 PDE5A (0.38) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL9635749 0.88 LPAR2 (0.43) PDE5APDE3BPDE3AP2RY12KDM4E
SCHEMBL7279872 0.88 CBFB (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634814 0.87 ADORA2B (0.48) PDE5APDE3BPDE3AP2RY12KDM4E

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 4 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
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed