SCHEMBL4674939

SCHEMBL4674939

O=C(NO)C1CCCCN1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.62
MMP13 P45452 4/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
MMP8 P22894 3/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
AKR1C3 P42330 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 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
SCHEMBL4674146 0.87 ALDH1A1 (0.48) MMP1MMP13MMP8ALDH1A1LMNA
SCHEMBL4673366 0.85 MAPT (0.47) MMP1MMP14ALDH1A1LMNASMN1; SMN2
SCHEMBL4673502 0.84 MMP1 (0.71) MMP1MMP13MMP3MMP7MMP8
SCHEMBL4670789 0.83 LMNA (0.56) MMP1MMP13MMP3MMP7ALDH1A1
SCHEMBL6267900 0.83 LMNA (0.56) MMP1MMP13MMP3MMP7ALDH1A1
SCHEMBL4674472 0.81 MMP1 (0.45) MMP1MMP14ALDH1A1LMNASMN1; SMN2
SCHEMBL6264715 0.79 MMP1 (0.60) MMP1MMP13MMP3MMP7MMP8
SCHEMBL4670840 0.79 MMP1 (0.60) MMP1MMP13MMP3MMP7MMP8
SCHEMBL6267896 0.78 MMP1 (0.58) MMP1MMP13MMP3MMP7MMP8
SCHEMBL4675047 0.78 MMP1 (0.48) MMP1MMP13MMP3MMP7MMP8

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 8 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
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed