SCHEMBL9702623

SCHEMBL9702623

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)c(-c2cccc(OC3CCCC3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GLA P06280 2/20 0.62
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPK1 P28482 1/20 0.42
PIM1 P11309 3/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9526262 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9526447 0.78 GAA (1.00) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL27154849 0.72 PIM1 (0.62) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9701913 0.72 KDM4E (0.53) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9701832 0.69 KDM4E (0.77) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL10888666 0.69 KDM4E (0.68) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7260450 0.68 KDM4E (0.70) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL12303123 0.67 SLC6A2 (0.63) ALDH1A1SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL4673334 0.67 NPC1 (0.47) GAASLC6A2SLC6A4
SCHEMBL7646373 0.66 L3MBTL1 (0.54) ALDH1A1KDM4EGLAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed