SCHEMBL5723028

SCHEMBL5723028

Cc1ccc(S(=O)(=O)N(C)NC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2cccc(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.76
ACE P12821 2/20 0.76
ECE1 P42892 2/20 0.76
POLB P06746 1/20 0.40
ELOVL6 Q9H5J4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 2/20 0.38
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL5723089 0.86 ECE1 (1.00) MMEACEECE1ALDH1A1SMN1; SMN2
SCHEMBL5723260 0.84 MME (0.69) MMEACEECE1ALDH1A1MMP1
SCHEMBL5723205 0.84 MME (0.71) MMEACEECE1POLBELOVL6
SCHEMBL5722926 0.84 MME (0.77) MMEACEECE1MMP1
SCHEMBL5723367 0.83 MME (0.53) MMEACEECE1POLBALDH1A1
SCHEMBL5723566 0.82 MME (0.76) MMEACEECE1MMP1ADAM17
SCHEMBL5723152 0.79 ECE1 (0.64) MMEACEECE1POLBELOVL6
SCHEMBL5723963 0.78 MME (0.68) MMEACEECE1ALDH1A1MMP1
SCHEMBL5723300 0.78 ECE1 (0.84) MMEACEECE1ALDH1A1SMN1; SMN2
SCHEMBL5723412 0.76 MME (0.65) MMEACEECE1ALDH1A1MEN1

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