SCHEMBL7285694

SCHEMBL7285694

COc1ccc(C2Sc3cc(Oc4ccccc4)ccc3NC(=O)C2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ESR1 P03372 1/20 0.56
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
PTPN7 P35236 1/20 0.56
RECQL P46063 1/20 0.56
ESR2 Q92731 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
ABCB1 P08183 2/20 0.40
LTA4H P09960 1/20 0.39
SLC2A1 P11166 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL7285681 1.00 TDP1 (0.56) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7285087 0.96 TDP1 (0.51) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7285101 0.96 TDP1 (0.51) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7285601 0.91 TDP1 (0.47) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7285609 0.91 TDP1 (0.47) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7294847 0.90 POLB (0.46) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7294856 0.90 POLB (0.46) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7287025 0.90 KDM4E (0.46) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7287036 0.90 KDM4E (0.46) TDP1HPGDKDM4EUSP2ESR1
SCHEMBL7324499 0.90 TDP1 (0.54) TDP1HPGDKDM4EUSP2ESR1

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-0353032-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Sankyo Company Limited (JP) 1992-02-26 EP disclosed
EP-0353032-A1 1,5-benzothiazepine derivatives, their preparation and their use in the treatment of cardiovascular disorders Sankyo Company Limited (JP) 1990-01-31 EP disclosed