SCHEMBL5723219

SCHEMBL5723219

Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ECE1 P42892 1/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 4/20 0.43
GAA P10253 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.40

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 0.87 ALDH1A1 (0.55) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723144 0.85 ECE1 (0.55) MMEACEECE1ALDH1A1HTT
SCHEMBL5723356 0.83 ALDH1A1 (0.51) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723111 0.82 ALDH1A1 (0.49) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723189 0.82 MMP9 (0.54) MMEACEECE1ALDH1A1HTT
SCHEMBL5723199 0.82 MME (0.53) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723236 0.82 MME (0.55) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723752 0.82 ALDH1A1 (0.59) MMEACEECE1RAB9AALDH1A1
SCHEMBL5722907 0.82 GAA (0.53) MMEACEECE1RAB9AALDH1A1
SCHEMBL5723320 0.82 MME (0.48) MMEACEECE1RAB9AALDH1A1

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