SCHEMBL27733152

SCHEMBL27733152

COc1ccccc1CNCc1ccc(O)c(N2CC(C=O)NS2(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CHEK1 O14757 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
DRD2 P14416 3/20 0.39
ADRA1D P25100 3/20 0.39
MPO P05164 1/20 0.38
CXCR4 P61073 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL27733157 0.87 KMT2A (0.34) KDM4ECHEK1KMT2AMEN1ADRB2
SCHEMBL27753566 0.85 PARP1 (0.35) HDAC3HDAC1HDAC2HDAC8ADRB2
SCHEMBL27760136 0.82 PTPN1 (0.40) ALDH1A1KMT2AMEN1ADRB2DRD2
SCHEMBL2933529 0.82 KDM4E (0.47) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL27758463 0.81 MPO (0.37) KMT2AMEN1ADRB2ADRB1DRD2
SCHEMBL3209496 0.80 PTPN1 (0.48) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL27745950 0.80 PTPN1 (0.39) KMT2AMEN1ADRB2MPOSMN1; SMN2
SCHEMBL27733144 0.77 IDH1 (0.40) MPO
SCHEMBL27733141 0.74 KAT8 (0.36) KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL4557176 0.74 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1ADRB2

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
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN claimed
CN-101883579-A Combination of protein tyrosine phosphatase inhibitors and human growth hormone for the treatment of muscle atrophy and related disorders NOVARTIS AG 2010-11-10 CN disclosed
CN-101547694-A Protein tyrosine phosphatase inhibitors for promoting physiological cardiac hypertrophy NOVARTIS AG (CH) 2009-09-30 CN disclosed
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN disclosed