SCHEMBL7564276

SCHEMBL7564276

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CN1C(=O)c3ccccc3C1=O)NC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 11/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
RAB7A P51149 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5841257 0.85 RAB7A (0.31) RAB7A
SCHEMBL5838486 0.81 PTPN1 (0.45)
SCHEMBL5836756 0.81 PTPN1 (0.45)
SCHEMBL7564422 0.81 PARP1 (0.39) KMT2ARAB7AMEN1
SCHEMBL7701502 0.81 HPGD (0.43) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL5841472 0.80 KMT2A (0.38) ALDH1A1LMNAKMT2ARAB7AHPGD
SCHEMBL7542803 0.79 PARP1 (0.37) ALDH1A1KMT2AHTTRAB7AMEN1
SCHEMBL7564458 0.79 PARP1 (0.37) ALDH1A1KMT2AHTTRAB7AMEN1
SCHEMBL7535281 0.79 PARP1 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL7155796 0.78 PTPN2 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed