SCHEMBL4674173

SCHEMBL4674173

O=C(NO)[C@H]1CN(C(=O)Nc2ccc(F)cc2F)CCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 3/20 0.41
GRIN2B Q13224 1/20 0.41
OPRM1 P35372 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL4673266 0.81 USP5 (0.41) NAMPTMAPTNPC1RAB9AMMP1
SCHEMBL4676535 0.79 MMP1 (0.52) NAMPTALDH1A1PKMSMN1; SMN2MMP1
SCHEMBL4673474 0.77 MMP1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMMP1
SCHEMBL7499676 0.77 MMP1 (0.41) NAMPTALDH1A1LMNAMAPTKMT2A
SCHEMBL4676908 0.77 MMP1 (0.41) NAMPTALDH1A1LMNAMAPTKMT2A
SCHEMBL4675374 0.77 SMN1; SMN2 (0.45) NAMPTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL4673740 0.76 USP5 (0.42) NAMPTALDH1A1MAPTMMP1MMP3
SCHEMBL4670881 0.71 HSD11B1 (0.46) OPRM1
SCHEMBL4670994 0.70 MMP1 (0.39) KMT2AMEN1MMP1MMP3MMP7
SCHEMBL7504893 0.70 MMP1 (0.39) KMT2AMEN1MMP1MMP3MMP7

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