SCHEMBL7137244

SCHEMBL7137244

O=C(O)c1ccc(C(=O)NC([C@@H]2C[C@@H](S)CN2)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.42
SLC16A3 O15427 4/20 0.39
CA2 P00918 1/20 0.39
GSK3B P49841 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MCL1 Q07820 1/20 0.36
AKR1C3 P42330 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PKM P14618 1/20 0.35
GPR27 Q9NS67 1/20 0.34

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
SCHEMBL5407300 1.00 KAT6A (0.42) KAT6ASLC16A3CA2GSK3BKEAP1
SCHEMBL7141030 0.95 KAT6A (0.46) KAT6ACA2AKR1C3LMNASMN1; SMN2
SCHEMBL5399404 0.95 KAT6A (0.46) KAT6ACA2AKR1C3LMNASMN1; SMN2
SCHEMBL7140420 0.90 PLAU (0.44) KAT6ACA2LMNASMN1; SMN2PKM
SCHEMBL7148694 0.85 PKM (0.37) KAT6ALMNASMN1; SMN2PKM
SCHEMBL5422442 0.85 PKM (0.37) KAT6ALMNASMN1; SMN2PKM
SCHEMBL7145132 0.79 L3MBTL1 (0.37) LMNAPKM
SCHEMBL5409515 0.79 L3MBTL1 (0.37) LMNAPKM
SCHEMBL5413603 0.75 KAT6A (0.41) KAT6ALMNASMN1; SMN2PKM
SCHEMBL7146277 0.75 ACACB (0.47) KAT6ACA2

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