SCHEMBL3268296

SCHEMBL3268296

Cn1cnc(S(=O)(=O)O)c1.O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
SLC6A9 P48067 1/20 0.44
HSD11B1 P28845 2/20 0.44
LIPG Q9Y5X9 1/20 0.44
HPGD P15428 2/20 0.42
WDR5 P61964 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.42
PLEC Q15149 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL3268298 0.90 HPGD (0.44) CA12CA1CA2CA9HSD11B1
SCHEMBL3237671 0.84 HPGD (0.59) CA12CA1CA2CA9KLKB1
SCHEMBL1725940 0.78 LMNA (0.47) HSD11B1HPGDALDH1A1MAPTKMT2A
SCHEMBL3265001 0.76 NAMPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3242896 0.75 MAPT (0.54) KLKB1KLK1HSD11B1LIPGHPGD
SCHEMBL327551 0.74 LMNA (0.39) CA12CA1CA2CA9SLC6A9
SCHEMBL3241841 0.72 HSD11B1 (0.59) KLKB1KLK1HSD11B1ALDH1A1MAPT
SCHEMBL3259879 0.72 MAPT (0.70) CA12CA1CA2CA9KLKB1
SCHEMBL3237674 0.71 HPGD (0.59) CA12CA1CA2CA9HSD11B1
SCHEMBL1722897 0.71 LMNA (0.45) SLC6A9HSD11B1HPGDALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010023445-A1 NOVEL POTASSIUM CHANNEL BLOCKER XENTION LIMITED (GB) 2010-03-04 WO claimed