SCHEMBL5723093

SCHEMBL5723093

Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2cc(F)ccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KAT6A Q92794 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.37
PKM P14618 1/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37

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 0.93 MME (0.46) MMEACEECE1KMT2AGAA
SCHEMBL5723182 0.91 MME (0.47) MMEACEECE1KMT2AGAA
SCHEMBL5723289 0.89 MME (0.49) MMEACEECE1KMT2AGAA
SCHEMBL5723156 0.89 MME (0.53) MMEACEECE1KMT2AGAA
SCHEMBL5722907 0.88 GAA (0.53) MMEACEECE1KMT2AGAA
SCHEMBL5723262 0.88 MME (0.47) MMEACEECE1KMT2AGAA
SCHEMBL5723367 0.86 MME (0.53) MMEACEECE1KMT2AGAA
SCHEMBL5724342 0.85 ALDH1A1 (0.55) MMEACEECE1KMT2AGAA
SCHEMBL5723320 0.84 MME (0.48) MMEACEECE1KMT2AGAA
SCHEMBL5723124 0.84 MME (0.47) MMEACEECE1KMT2AGAA

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