SCHEMBL9526262

SCHEMBL9526262

COc1ccc(-c2ccc(C#N)c(=O)[nH]2)c(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 5/20 0.67
GAA P10253 3/20 0.67
GLA P06280 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HPGD P15428 3/20 0.50
GALR3 O60755 1/20 0.50
PIM1 P11309 4/20 0.49
MDM2 Q00987 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MET P08581 1/20 0.45
KDR P35968 1/20 0.45
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.43
HTT P42858 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
SCHEMBL27154849 0.82 PIM1 (0.62) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL9702623 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL9526447 0.81 GAA (1.00) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL9526258 0.78 KDM4E (0.64) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL7260450 0.77 KDM4E (0.70) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL9701832 0.76 KDM4E (0.77) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL28802576 0.75 MAOA (0.49) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7647544 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL7646373 0.75 L3MBTL1 (0.54) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL4474609 0.75 MDM2 (0.62) ALDH1A1KDM4EGAAGLAL3MBTL1

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