SCHEMBL9529307

SCHEMBL9529307

N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
GAA P10253 4/20 0.55
GLA P06280 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
IDO1 P14902 1/20 0.45
MDM2 Q00987 1/20 0.43
MET P08581 1/20 0.43
KDR P35968 1/20 0.43
ABL1 P00519 1/20 0.42
MCL1 Q07820 1/20 0.41
AHR P35869 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL11008749 0.82 MCL1 (0.51) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9525290 0.80 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11736677 0.78 KDM4E (0.46) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9536812 0.77 ALDH1A1 (0.60) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9219527 0.77 PGR (0.49) KDM4EGAAMEN1HTTKMT2A
SCHEMBL9701575 0.76 MDM2 (0.59) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11737297 0.76 ERCC1 (0.57) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7365683 0.76 KDM4E (0.51) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL2741753 0.76 AHR (0.43) KDM4EGAAMEN1HTTKMT2A
SCHEMBL9700724 0.75 KDM4E (0.66) 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