SCHEMBL4783323

SCHEMBL4783323

CC(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)c1ccccc1N.CCOC(=O)C(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.41
PTPN2 P17706 1/20 0.38
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
PRMT1 Q99873 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
CHRM1 P11229 2/20 0.31
MMP8 P22894 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL4557843 0.98 PTPN1 (0.40) PTPN1PTPN2EPHX2PPARGGAA
SCHEMBL3224722 0.90 PTPN1 (0.48) PTPN1PTPN2EPHX2PPARGGAA
SCHEMBL3221800 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL4783346 0.86 PTPN1 (0.36) PTPN1PTPN2
SCHEMBL4557840 0.84 PTPN1 (0.35) PTPN1PTPN2
SCHEMBL3221773 0.81 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3220627 0.80 PTPN1 (0.48) PTPN1PTPN2CHRM1
SCHEMBL2937678 0.78 PTPN1 (0.47) PTPN1PTPN2ALDH1A1
SCHEMBL3214725 0.75 PTPN1 (0.48) PTPN1PTPN2PPARGKDM4EALDH1A1
SCHEMBL3210005 0.74 PTPN1 (0.51) PTPN1PTPN2

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
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed