SCHEMBL6467918

SCHEMBL6467918

COCCN(CCOC)C(=O)N[C@@H](CS(=O)(=O)Cc1cccnc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
SCN9A Q15858 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTAFR P25105 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7535471 0.81 CNR2 (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1CA2
SCHEMBL6467924 0.81 MAPK1 (0.37) MMP2MMP9SMN1; SMN2MAPK1MAPT
SCHEMBL7047937 0.75 CTSS (0.39)
SCHEMBL6062463 0.75 DAGLA (0.42) SMN1; SMN2
SCHEMBL6467665 0.73 AR (0.34) SMN1; SMN2ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL14374617 0.68 PKM (0.42) MMP2MMP9SMN1; SMN2MAPTRECQL
SCHEMBL14276916 0.68 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MAPTALDH1A1KMT2A
SCHEMBL14347503 0.67 SMN1; SMN2 (0.44) MMP2MMP9SMN1; SMN2MAPTALDH1A1
SCHEMBL12139973 0.67 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1L3MBTL1NAMPTTDP1
SCHEMBL4948263 0.65 NAMPT (0.41) MAPTRECQLNAMPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed