SCHEMBL9701913

SCHEMBL9701913

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PDE4A P27815 15/20 0.50
PDE4B Q07343 14/20 0.49
PDE4C Q08493 14/20 0.49
PDE4D Q08499 14/20 0.49
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
TBK1 Q9UHD2 1/20 0.47

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
SCHEMBL9701530 0.86 KDM4E (0.65) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700696 0.82 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701620 0.79 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL8206942 0.78 PDE5A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9701665 0.77 KDM4E (0.61) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701927 0.77 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526844 0.77 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9524533 0.76 KDM4E (0.54) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL11174883 0.76 KDM4E (0.53) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700749 0.75 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D

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