SCHEMBL4556368

SCHEMBL4556368

CCNC(=O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(OC(=O)Cc2ccccc2Cc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.51
PTPN2 P17706 4/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.31
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
LMNA P02545 1/20 0.30
PTGER4 P35408 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
SCHEMBL3216202 0.92 PTPN1 (0.56) PTPN1PTPN2ERCC1ERCC4
SCHEMBL4556367 0.88 PTPN1 (0.53) PTPN1PTPN2ERCC1ERCC4PTGER4
SCHEMBL4785563 0.85 PTPN1 (0.37) PTPN1KMT2A
SCHEMBL2938403 0.85 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL3919898 0.85 PTPN1 (0.43) PTPN1PTPN2POLBKMT2ALMNA
SCHEMBL4785568 0.80 PTPN1 (0.45) PTPN1PTPN2KMT2A
SCHEMBL3219890 0.79 PTPN1 (0.58) PTPN1PTPN2POLBLMNA
SCHEMBL3917680 0.77 PTPN1 (0.45) PTPN1PTPN2KMT2A
SCHEMBL3224679 0.76 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL1911435 0.76 PTPN1 (0.50) PTPN1PTPN2POLBKMT2A

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