SCHEMBL9701832

SCHEMBL9701832

COc1cc(OC)cc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.77
ALDH1A1 P00352 5/20 0.77
GLA P06280 3/20 0.77
GAA P10253 3/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
MDM2 Q00987 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PIM1 P11309 3/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL9526447 0.87 GAA (1.00) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7260450 0.86 KDM4E (0.70) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL7371784 0.84 KDM4E (0.60) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9703127 0.82 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701860 0.80 KDM4E (0.55) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701530 0.79 KDM4E (0.65) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526574 0.78 KDM4E (0.56) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526579 0.78 KDM4E (0.56) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL27154849 0.77 PIM1 (0.62) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9524981 0.76 KDM4E (0.54) KDM4EALDH1A1GLAGAAL3MBTL1

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