SCHEMBL8562818

SCHEMBL8562818

COC[C@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1.COC[C@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
CA7 P43166 1/20 0.43
PTAFR P25105 1/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ALDH1A1 P00352 7/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 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
SCHEMBL8566213 1.00 CA1 (0.49) CA1CA2CA4CA9CA7
SCHEMBL8559447 0.87 PTAFR (0.55) CA1CA2CA4CA9CA7
SCHEMBL8565136 0.83 CA1 (0.51) CA1CA2CA4CA9CA7
SCHEMBL9298870 0.82 PIN1 (0.55) CA1CA2CA4CA9CA7
SCHEMBL9595462 0.77 MMP1 (0.53) CA1CA2CA9CA7MMP2
SCHEMBL7021143 0.76 NPSR1 (0.59) CA1CA2CA9ALDH1A1LMNA
SCHEMBL9385459 0.75 CA2 (0.42) CA1CA2CA4CA9CA7
SCHEMBL9384827 0.75 CA2 (0.42) CA1CA2CA4CA9CA7
SCHEMBL9385461 0.75 CA2 (0.42) CA1CA2CA4CA9CA7
SCHEMBL9384830 0.75 CA2 (0.42) CA1CA2CA4CA9CA7

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
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed