SCHEMBL7095258

SCHEMBL7095258

CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2NCCc3c2sc(NC2CCCCO2)c3C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 3/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7095255 1.00 POLB (0.45) POLBKMT2AMEN1SMN1; SMN2GAA
SCHEMBL5768826 0.84 PTPN1 (0.50) POLBKMT2AMEN1SMN1; SMN2GAA
SCHEMBL7578658 0.74 HPGD (0.36) POLBKMT2AMEN1SMN1; SMN2GAA
SCHEMBL7557647 0.73 PTPN1 (0.37) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL5810842 0.71 RAB9A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7096725 0.71 PTPN1 (0.58) KMT2AALDH1A1HPGDHSD17B10PTPN1
SCHEMBL7096724 0.71 PTPN1 (0.58) KMT2AALDH1A1HPGDHSD17B10PTPN1
SCHEMBL5810837 0.71 RAB9A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7537220 0.71 PTPN1 (0.37) KMT2AMEN1SMN1; SMN2PTPN1HTT
SCHEMBL5794533 0.71 PTPN1 (0.40) POLBKMT2AMEN1SMN1; SMN2GAA

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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed