SCHEMBL4675501

SCHEMBL4675501

O=C(NO)C(CSc1ccccn1)NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 2/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 4/20 0.38
PANK3 Q9H999 1/20 0.37
PKM P14618 1/20 0.36
ADRB2 P07550 1/20 0.36
HTT P42858 1/20 0.36
NAMPT P43490 1/20 0.36
MMP7 P09237 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4675503 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMMP1
SCHEMBL4671294 0.89 MMP1 (0.41) ALDH1A1MEN1KMT2AMMP1DRD2
SCHEMBL4671292 0.89 MMP1 (0.41) ALDH1A1MEN1KMT2AMMP1DRD2
SCHEMBL4671264 0.81 MMP1 (0.48) ALDH1A1KMT2AMMP1DRD2DRD4
SCHEMBL4671268 0.81 MMP1 (0.48) ALDH1A1KMT2AMMP1DRD2DRD4
SCHEMBL4672909 0.81 MMP1 (0.46) KMT2AMMP1DRD2DRD4PANK3
SCHEMBL4672904 0.81 MMP1 (0.46) KMT2AMMP1DRD2DRD4PANK3
SCHEMBL4671636 0.78 ME2 (0.44) MMP1DRD2DRD4PANK3
SCHEMBL4671640 0.78 ME2 (0.44) MMP1DRD2DRD4PANK3
SCHEMBL4672857 0.77 PPARG (0.38) ALDH1A1SMN1; SMN2KMT2AMMP1DRD2

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 2 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