SCHEMBL5723262

SCHEMBL5723262

Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(F)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47
ALDH1A1 P00352 4/20 0.44
POLB P06746 4/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 5/20 0.41
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KAT6A Q92794 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
SCHEMBL5723159 0.88 MME (0.46) MMEACEECE1ALDH1A1POLB
SCHEMBL5723093 0.88 MME (0.46) MMEACEECE1ALDH1A1POLB
SCHEMBL5723182 0.88 MME (0.47) MMEACEECE1ALDH1A1POLB
SCHEMBL5723289 0.88 MME (0.49) MMEACEECE1ALDH1A1POLB
SCHEMBL5723156 0.87 MME (0.53) MMEACEECE1ALDH1A1POLB
SCHEMBL5723124 0.86 MME (0.47) MMEACEECE1ALDH1A1POLB
SCHEMBL5724342 0.86 ALDH1A1 (0.55) MMEACEECE1ALDH1A1POLB
SCHEMBL5722907 0.85 GAA (0.53) MMEACEECE1ALDH1A1POLB
SCHEMBL5723320 0.85 MME (0.48) MMEACEECE1ALDH1A1POLB
SCHEMBL5723199 0.83 MME (0.53) MMEACEECE1ALDH1A1POLB

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-1317428-B1 PYRROLIDINE-2-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES FOR USE AS METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed