SCHEMBL5722907

SCHEMBL5722907

Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
ECE1 P42892 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.44
LMNA P02545 2/20 0.43
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5724342 0.95 ALDH1A1 (0.55) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723356 0.91 ALDH1A1 (0.51) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723144 0.91 ECE1 (0.55) GAAL3MBTL1ALDH1A1MMEACE
SCHEMBL5723156 0.90 MME (0.53) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723752 0.90 ALDH1A1 (0.59) KMT2AL3MBTL1ALDH1A1MMEACE
SCHEMBL5723367 0.89 MME (0.53) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723026 0.89 ECE1 (0.48) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723124 0.89 MME (0.47) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723093 0.88 MME (0.46) GAAKMT2AL3MBTL1ALDH1A1MME
SCHEMBL5723159 0.88 MME (0.46) GAAKMT2AL3MBTL1ALDH1A1MME

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