SCHEMBL13293531

SCHEMBL13293531

Cc1ncc(CBr)c(CO)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HPGD P15428 3/20 0.76
▸ HSD17B10 Q99714 1/20 0.76
▸ LMNA P02545 3/20 0.59
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ PDXK O00764 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ AOX1 Q06278 1/20 0.49
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ GAA P10253 1/20 0.41
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37

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
Bromide SCHEMBL478855 0.98 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL479226 0.89 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
Bromide SCHEMBL9614250 0.87 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
Bromide SCHEMBL6267513 0.87 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.86 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30267871 0.86 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30877002 0.86 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL2322958 0.86 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3640160 0.85 HPGD (0.96) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3332830 0.85 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-7745426-B2 Compositions and methods for reducing the risk of epileptic occurrence and/or for treatment of seizure disorders D-PHARM LTD. (IL) 2010-06-29 — — US disclosed
US-7745426-B2 Compositions and methods for reducing the risk of epileptic occurrence and/or for treatment of seizure disorders D-PHARM LTD. (IL) 2010-06-29 — — US disclosed
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