SCHEMBL9636088

SCHEMBL9636088

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.41
PDE5A O76074 6/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE2A O00408 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP1 P09874 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAOA P21397 1/20 0.33
FGFR1 P11362 1/20 0.33
MDM2 Q00987 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL9636206 0.92 PDE5A (0.37) CBFBPDE5APDE3BPDE3APDE2A
SCHEMBL9635742 0.90 PDE5A (0.39) PDE5APDE3BPDE3APDE2ALMNA
SCHEMBL7277622 0.89 PDE2A (0.47) CBFBPDE5APDE3BPDE3APDE2A
Hydrochloric Acid SCHEMBL10848480 0.88 PDE2A (0.46) CBFBPDE5APDE3BPDE3APDE2A
SCHEMBL9634764 0.88 CBFB (0.41) CBFBPDE5APDE3BPDE3APDE2A
SCHEMBL9635760 0.86 CBFB (0.46) CBFBPDE5APDE3BPDE3APDE2A
SCHEMBL9635794 0.86 PDE5A (0.40) CBFBPDE5APDE3BPDE3APDE2A
SCHEMBL9635925 0.85 PDE5A (0.47) PDE5APDE3BPDE3APDE2ALMNA
SCHEMBL9636296 0.84 PDE3B (0.39) PDE5APDE3BPDE3APDE2ALMNA
SCHEMBL9635694 0.84 PDE5A (0.51) CBFBPDE5APDE3BPDE3APDE2A

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