SCHEMBL5722992

SCHEMBL5722992

CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.57
ACE P12821 2/20 0.57
ECE1 P42892 2/20 0.57
GAA P10253 4/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
NPC1 O15118 1/20 0.45
PLA2G7 Q13093 3/20 0.45

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
SCHEMBL5722993 1.00 MME (0.57) MMEACEECE1GAAKDM4E
SCHEMBL5723402 0.89 ECE1 (0.61) MMEACEECE1GAASMN1; SMN2
SCHEMBL5723632 0.89 ECE1 (0.71) MMEACEECE1GAASMN1; SMN2
SCHEMBL5723510 0.87 MME (0.59) MMEACEECE1GAASMN1; SMN2
SCHEMBL5722920 0.87 ECE1 (0.58) MMEACEECE1GAASMN1; SMN2
SCHEMBL5723075 0.86 GAA (0.55) MMEACEECE1GAAKDM4E
SCHEMBL5723488 0.86 ECE1 (0.66) MMEACEECE1SMN1; SMN2LMNA
SCHEMBL5723778 0.83 MME (0.56) MMEACEECE1KAT6A
SCHEMBL5723097 0.83 ECE1 (0.67) MMEACEECE1SMN1; SMN2LMNA
SCHEMBL5723245 0.82 ECE1 (0.59) MMEACEECE1KDM4EMAPT

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