SCHEMBL7322502

SCHEMBL7322502

COc1ccc([C@@H]2Sc3cc(OC)ccc3NC(=O)[C@@H]2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
ESR1 P03372 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
PTPN7 P35236 1/20 0.54
RECQL P46063 1/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SNCA P37840 3/20 0.47
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOX1 Q9Y5S8 2/20 0.42

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
SCHEMBL7324505 1.00 TDP1 (0.54) TDP1POLBHPGDKDM4EUSP2
SCHEMBL7324499 1.00 TDP1 (0.54) TDP1POLBHPGDKDM4EUSP2
SCHEMBL7285087 0.94 TDP1 (0.51) TDP1POLBHPGDKDM4EUSP2
SCHEMBL7285101 0.94 TDP1 (0.51) TDP1POLBHPGDKDM4EUSP2
SCHEMBL10599118 0.91 HSD17B10 (0.51) TDP1POLBHPGDKDM4EUSP2
SCHEMBL10599130 0.91 HSD17B10 (0.51) TDP1POLBHPGDKDM4EUSP2
SCHEMBL10599133 0.91 HSD17B10 (0.51) TDP1POLBHPGDKDM4EUSP2
SCHEMBL7302081 0.90 POLB (0.50) TDP1POLBHPGDKDM4EUSP2
SCHEMBL7435978 0.90 POLB (0.50) TDP1POLBHPGDKDM4EUSP2
SCHEMBL10637046 0.90 POLB (0.50) TDP1POLBHPGDKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430544-A1 Process for resolving chiral intermediates used in making calcium channel blockers E.R. SQUIBB & SONS, INC. (US) 1991-06-05 EP disclosed
US-4963671-A Process for resolving chiral intermediates used in making calcium channel blockers E. R. SQUIBB & SONS, INC. (US) 1990-10-16 US disclosed
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 US disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 WO disclosed
EP-0154838-B1 NOVEL 1,5-BENZOTHIAZEPINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1988-07-06 EP disclosed
US-4590188-A HYPOTENSIVES, VASODILATORS TANABE SEIYAKU CO., LTD. (JP) 1986-05-20 US disclosed
EP-0154838-A1 Novel 1,5-benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-18 EP disclosed