SCHEMBL9526335

SCHEMBL9526335

N#Cc1ccc(-c2ccc3c(c2)OCO3)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCL2L1 Q07817 1/20 0.51
PDE10A Q9Y233 2/20 0.48
TBK1 Q9UHD2 1/20 0.46
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 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
SCHEMBL6380267 0.77 HSD17B10 (0.49) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9529307 0.75 KDM4E (0.55) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9529732 0.74 KDM4E (0.51) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL2202173 0.74 BCL2L1 (0.54) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9536812 0.74 ALDH1A1 (0.60) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL15661524 0.73 PDE10A (0.42) KDM4EALDH1A1GAABCL2L1PDE10A
SCHEMBL28946476 0.73 GSK3B (0.59) KDM4EALDH1A1GAAL3MBTL1BCL2L1
SCHEMBL30132131 0.72 ALDH1A1 (0.58) KDM4EALDH1A1GAABCL2L1HSD17B10
SCHEMBL7365683 0.72 KDM4E (0.51) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11008749 0.72 MCL1 (0.51) 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