SCHEMBL7147586

SCHEMBL7147586

O=S(=O)(c1ccc2ccccc2c1)N1CC(S)CC1CNCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.43
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MCOLN3 Q8TDD5 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL5401455 1.00 ECE1 (0.43) ECE1MMEACEALDH1A1LMNA
SCHEMBL5406244 0.85 ECE1 (0.46) ECE1MMEACEALDH1A1LMNA
SCHEMBL5405064 0.83 ECE1 (0.46) ECE1MMEACEALDH1A1LMNA
SCHEMBL7140964 0.83 ECE1 (0.46) ECE1MMEACEALDH1A1LMNA
SCHEMBL5404984 0.82 LMNA (0.47) ECE1MMEACEALDH1A1LMNA
SCHEMBL5412671 0.82 ECE1 (0.48) ECE1MMEACEALDH1A1LMNA
SCHEMBL5401069 0.80 ECE1 (0.50) ECE1MMEACEALDH1A1LMNA
SCHEMBL5412920 0.80 ECE1 (0.46) ECE1MMEACEALDH1A1LMNA
SCHEMBL7147518 0.80 ECE1 (0.46) ECE1MMEACEALDH1A1LMNA
SCHEMBL5398840 0.79 ECE1 (0.45) ECE1MMEACEALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed