SCHEMBL4675374

SCHEMBL4675374

O=C(NO)[C@H]1CN(S(=O)(=O)N2CCOCC2)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
USP5 P45974 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL4676535 0.89 MMP1 (0.52) SMN1; SMN2USP5MMP1MMP3MMP7
SCHEMBL7505645 0.88 SMN1; SMN2 (0.47) SMN1; SMN2USP5NPC1MAPTALDH1A1
SCHEMBL4676908 0.84 MMP1 (0.41) USP5NPC1MAPTMMP1MMP3
SCHEMBL7499676 0.84 MMP1 (0.41) USP5NPC1MAPTMMP1MMP3
SCHEMBL4676457 0.81 JAK1 (0.41) SMN1; SMN2NPC1MAPTMMP1MMP3
SCHEMBL4673474 0.81 MMP1 (0.53) SMN1; SMN2USP5MAPTMMP1MMP3
SCHEMBL4673266 0.80 USP5 (0.41) USP5NPC1MAPTMMP1MMP3
SCHEMBL4673740 0.80 USP5 (0.42) USP5MAPTMMP1MMP3MMP7
SCHEMBL4674173 0.77 TP53 (0.46) SMN1; SMN2NPC1MAPTMMP1MMP3
SCHEMBL4670994 0.70 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP13

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