SCHEMBL2931425

SCHEMBL2931425

CC1CCc2cc(O)c(N3CCNS3(=O)=O)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
PTPN2 P17706 4/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
FYN P06241 1/20 0.31
KIF18A Q8NI77 1/20 0.31

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
SCHEMBL4557425 0.85 CYP1A2 (0.32) DRD2DRD1PTPN2MAPTNFKB1
SCHEMBL4738126 0.85 PTPN2 (0.34) DRD2DRD1PTPN2MAPTNFKB1
SCHEMBL629787 0.80 PTPN2 (0.48) PTPN2
SCHEMBL4557489 0.73 PIK3C3 (0.31) PTPN2PIK3C3
SCHEMBL12305071 0.72 MAPT (0.59) DRD2DRD1MAPTNFKB1THPO
SCHEMBL629643 0.69 PTPN1 (0.53) PTPN2
SCHEMBL629832 0.66 PTPN1 (0.46) PTPN2
SCHEMBL630108 0.65 PTPN2 (0.48) PTPN2
SCHEMBL629572 0.65 PTPN2 (0.48) PTPN2
SCHEMBL629980 0.65 PTPN1 (0.46) PTPN2

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed