SCHEMBL7326944

SCHEMBL7326944

O=C(c1ccccc1NS)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SRC P12931 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL5483965 0.86 LMNA (0.53) LMNACES2CES1MAPK1MEN1
SCHEMBL1395462 0.84 LMNA (0.52) LMNACES2CES1MAPK1MEN1
SCHEMBL2053138 0.84 LMNA (0.52) LMNACES2CES1MAPK1MEN1
SCHEMBL754132 0.81 CYP2C19 (0.58) LMNACES2CES1MAPK1MEN1
SCHEMBL11667579 0.80 LMNA (0.47) LMNACES2CES1MAPK1MEN1
SCHEMBL4769362 0.80 LMNA (0.47) LMNACES2CES1MAPK1KDM4E
SCHEMBL4348607 0.79 CES2 (0.59) LMNACES2CES1MAPK1KDM4E
Formic Acid SCHEMBL28872029 0.79 LMNA (0.46) LMNACES2CES1MAPK1MEN1
SCHEMBL5928515 0.79 ALDH1A1 (0.62) LMNACES2CES1MEN1KMT2A
SCHEMBL5843726 0.79 MDM4 (0.53) LMNACES2CES1MAPK1MEN1

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-0516980-B1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMA INC (US) 1996-04-17 EP disclosed