SCHEMBL2933529

SCHEMBL2933529

COc1ccccc1CNCc1ccc(O)c(N2CCNS2(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CXCR4 P61073 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA1D P25100 3/20 0.40
CHEK1 O14757 1/20 0.40
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39

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
SCHEMBL4557176 0.91 KDM4E (0.47) KDM4EKMT2AALDH1A1MEN1ADRB2
SCHEMBL3209496 0.84 PTPN1 (0.48) KDM4EKMT2AALDH1A1MEN1HDAC3
SCHEMBL27733152 0.82 KDM4E (0.41) KDM4EKMT2AALDH1A1MEN1HDAC3
SCHEMBL2931719 0.74 PTPN1 (0.43) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL4738929 0.73 KDM4E (0.44) KDM4EKMT2AALDH1A1MEN1HDAC3
SCHEMBL3223873 0.72 PTPN1 (0.41) KDM4EKMT2AALDH1A1MEN1ADRB2
SCHEMBL27733157 0.69 KMT2A (0.34) KDM4EKMT2AMEN1ADRB2ADRB1
SCHEMBL5695121 0.66 ALDH1A1 (0.79) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4449820 0.66 ADRB2 (0.36) KDM4EKMT2AALDH1A1MEN1HDAC3
SCHEMBL8883322 0.65 KDM4E (0.70) KDM4EKMT2AALDH1A1MEN1

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 4 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
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 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
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed