SCHEMBL9701620

SCHEMBL9701620

CCOc1cc(-c2ccc(C#N)c(=O)[nH]2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
GLA P06280 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PIM1 P11309 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
THRB P10828 1/20 0.41
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9526844 0.91 KDM4E (0.55) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701530 0.90 KDM4E (0.65) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701927 0.88 KDM4E (0.55) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9524533 0.87 KDM4E (0.54) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9700696 0.86 KDM4E (0.53) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701460 0.84 ALDH1A1 (0.52) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11174883 0.84 KDM4E (0.53) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701626 0.82 ALDH1A1 (0.56) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701665 0.81 KDM4E (0.61) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701913 0.79 KDM4E (0.53) KDM4EALDH1A1GAAGLAL3MBTL1

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