SCHEMBL9700707

SCHEMBL9700707

CCCOc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
GAA P10253 3/20 0.71
ALDH1A1 P00352 2/20 0.71
GLA P06280 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
MDM2 Q00987 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 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
SCHEMBL9701544 0.94 KDM4E (0.70) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526090 0.90 KDM4E (0.74) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9703127 0.89 ALDH1A1 (0.57) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701393 0.85 KDM4E (0.52) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526447 0.83 GAA (1.00) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525492 0.82 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701871 0.82 KDM4E (0.66) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701460 0.81 ALDH1A1 (0.52) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9528029 0.80 KDM4E (0.52) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526882 0.80 ALDH1A1 (0.44) KDM4EGAAALDH1A1GLAL3MBTL1

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