SCHEMBL2928558

SCHEMBL2928558

O=C1CN(c2ccc(CCCNS(=O)(=O)CC3CCCCC3)cc2O)S(=O)(=O)N1.O=S(=O)(O)CCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.42
HTR1A P08908 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR7 P34969 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTPN2 P17706 4/20 0.33
BCHE P06276 1/20 0.31
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRM1 Q13255 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
SCHEMBL2928559 0.88 PTPN1 (0.37) PTPN1HTR1AKCNH2HTR7SIGMAR1
SCHEMBL3213337 0.88 PTPN1 (0.46) PTPN1HTR1AKCNH2HTR7SIGMAR1
SCHEMBL2933699 0.84 PTPN1 (0.48) PTPN1HTR1AKCNH2HTR7SIGMAR1
SCHEMBL3214264 0.78 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL2930264 0.76 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL646019 0.76 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3202520 0.73 PTPN1 (0.48) PTPN1HTR7PTPN2
SCHEMBL2929970 0.73 PTPN1 (0.47) PTPN1SIGMAR1PTPN2
SCHEMBL3224718 0.73 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL3225865 0.73 PTPN1 (0.53) 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 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