SCHEMBL134374

SCHEMBL134374

O=C(I)NCCNc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TTR P02766 2/20 0.44
CYP1A2 P05177 3/20 0.41
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
BCHE P06276 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL29358898 0.88 CA12 (0.44) CA12CA9CA4CA7CA14
SCHEMBL29355645 0.88 CA12 (0.44) CA12CA9CA4CA7CA14
SCHEMBL25745 0.88 CA12 (0.44) CA12CA9CA4CA7CA14
SCHEMBL6128009 0.87 CA12 (0.63) CA12CA9CA4CA7CA14
SCHEMBL18270521 0.85 TTR (0.46) CA12CA9CA4CA7CA14
SCHEMBL22461371 0.85 CA7 (0.47) CA12CA9CA4CA7CA14
SCHEMBL21347987 0.85 CA12 (0.47) CA12CA9CA4CA7CA14
SCHEMBL21347989 0.85 CA12 (0.47) CA12CA9CA4CA7CA14
SCHEMBL9626308 0.85 CA12 (0.44) CA12CA9CA4CA7CA14
SCHEMBL24177208 0.84 CYP1A2 (0.46) CA12CA9CA4CA7CA14

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-1458760-B1 ENTRAPPED BINDING PROTEINS AS BIOSENSORS BECTON DICKINSON CO (US) 2012-03-07 EP claimed