SCHEMBL11111941

SCHEMBL11111941

O=C(O)c1ccc(CCNS(=O)(=O)CCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MMP8 P22894 3/20 0.56
MMP12 P39900 3/20 0.56
MMP13 P45452 3/20 0.56
MMP1 P03956 1/20 0.56
MMP7 P09237 1/20 0.56
AKR1C3 P42330 3/20 0.55
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
IDO1 P14902 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL15754219 0.87 L3MBTL1 (0.64) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL11108606 0.85 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL27728327 0.84 L3MBTL1 (0.58) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL11113183 0.83 SMN1; SMN2 (0.58) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL11105772 0.80 RARB (0.57) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL894337 0.80 HPGD (0.56) MMP8MMP12MMP13MMP1MMP7
SCHEMBL11108949 0.80 AKR1C3 (0.72) AKR1C3TAAR1ALDH1A1MAPTKMT2A
SCHEMBL3207695 0.80 MMP8 (0.60) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL11105745 0.79 MMP1 (0.53) L3MBTL1NPC1RAB9AMMP8MMP12
SCHEMBL11105080 0.79 L3MBTL1 (0.53) L3MBTL1NPC1RAB9AMMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443477-A ANTICOAGULANTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-04-17 US disclosed
EP-0031954-B1 SULPHONAMIDES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1984-03-14 EP disclosed
EP-0031954-A2 Sulphonamides, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-07-15 EP disclosed