SCHEMBL9851541

SCHEMBL9851541

CCCOc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.51
CYP19A1 P11511 4/20 0.42
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
VCAM1 P19320 1/20 0.37
ESRRA P11474 1/20 0.37
EIF4A1 P60842 1/20 0.37
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7576593 0.83 ALDH1A1 (0.42) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL9702581 0.83 ALDH1A1 (0.44) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL7650243 0.82 ALDH1A1 (0.41) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL7376004 0.82 PDE5A (0.50) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL7647544 0.81 ALDH1A1 (0.54) ALDH1A1GAAKDM4EGLAL3MBTL1
SCHEMBL7648674 0.81 AR (0.40) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL7646410 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AHPGD
SCHEMBL7644788 0.79 PDE5A (0.45) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL7648106 0.79 PDE5A (0.43) PDE5AALDH1A1GAAKDM4EGLA
SCHEMBL10352701 0.79 CYP19A1 (0.55) PDE5ACYP19A1ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP claimed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed