SCHEMBL4674822

SCHEMBL4674822

CC(NS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
PKM P14618 5/20 0.57
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4674825 1.00 KMT2A (0.57) KMT2APKMMEN1POLBLMNA
SCHEMBL4673278 0.84 KMT2A (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL4675351 0.84 KMT2A (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL8103998 0.82 HRH3 (0.43) KMT2APKMMEN1POLBLMNA
SCHEMBL4671060 0.82 NPC1 (0.53) KMT2AMEN1POLBLMNANPC1
SCHEMBL4671056 0.82 NPC1 (0.53) KMT2AMEN1POLBLMNANPC1
SCHEMBL7324705 0.78 MEN1 (0.49) KMT2AMEN1MMP2GAA
SCHEMBL4670814 0.77 MMP1 (0.39) POLBLMNAHRH3CA1CA2
SCHEMBL5466273 0.74 KMT2A (0.76) KMT2APKMMEN1POLBLMNA
SCHEMBL4673444 0.73 MMP1 (0.53) KMT2AMEN1LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed