SCHEMBL9636129

SCHEMBL9636129

COc1cc(CC(=O)O)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA5A P35218 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HPSE Q9Y251 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL9635660 0.90 PDE5A (0.50) PDE5APDE3BPDE3AGAAALDH1A1
SCHEMBL9634729 0.88 PDE5A (0.48) PDE5APDE3BPDE3AALDH1A1NFKB1
SCHEMBL9634654 0.85 PDE5A (0.53) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL10847776 0.83 PDE5A (0.54) PDE5APDE3BPDE3AALDH1A1TDP1
SCHEMBL9634292 0.83 PDE5A (0.49) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL10748751 0.83 PDE5A (0.51) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL10742502 0.82 PDE5A (0.50) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL9636125 0.82 PDE5A (0.48) PDE5APDE3BPDE3AGAAALDH1A1
SCHEMBL9634881 0.81 PDE5A (0.51) PDE5APDE3BPDE3AALDH1A1KDM4E
SCHEMBL9634369 0.81 PDE5A (0.49) PDE5APDE3BPDE3AGAAALDH1A1

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