SCHEMBL9526258

SCHEMBL9526258

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
GAA P10253 4/20 0.64
GLA P06280 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
GALR3 O60755 1/20 0.50
HPGD P15428 1/20 0.50
PIM1 P11309 2/20 0.49
MDM2 Q00987 1/20 0.49
PGR P06401 2/20 0.45
AR P10275 2/20 0.45
ATM Q13315 2/20 0.45
HTT P42858 1/20 0.45
CHEK1 O14757 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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 0.84 KDM4E (0.65) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701665 0.81 KDM4E (0.61) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7649493 0.80 KDM4E (0.56) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701575 0.78 MDM2 (0.59) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL4474609 0.78 MDM2 (0.62) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9526447 0.78 GAA (1.00) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7371748 0.78 KDM4E (0.57) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9701620 0.78 KDM4E (0.57) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9526262 0.78 ALDH1A1 (0.67) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7371751 0.78 KDM4E (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed