SCHEMBL7564422

SCHEMBL7564422

O=C(O)c1c(NC2CCCCO2)sc2c1CC(CN1Cc3cccc(O)c3C1=O)NC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB7A P51149 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
SCHEMBL7564458 0.90 PARP1 (0.37) PARP1POLBMEN1KMT2ARAB7A
SCHEMBL7542803 0.90 PARP1 (0.37) PARP1POLBMEN1KMT2ARAB7A
SCHEMBL5841257 0.89 RAB7A (0.31) RAB7A
SCHEMBL7535281 0.88 PARP1 (0.36) PARP1POLBMEN1KMT2A
SCHEMBL5837663 0.84 PTPN1 (0.40) PARP1
SCHEMBL7564859 0.82 PARP1 (0.37) PARP1POLBMEN1KMT2A
SCHEMBL7564276 0.81 CYP1A2 (0.39) MEN1KMT2ARAB7A
SCHEMBL7564931 0.79 POLB (0.35) PARP1POLBMEN1KMT2A
SCHEMBL5843765 0.75 ALDH1A1 (0.38) MEN1KMT2ARAB7A
SCHEMBL7701502 0.74 HPGD (0.43) POLBMEN1KMT2ARAB7A

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
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-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
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed