SCHEMBL953973

SCHEMBL953973

CCOC(=O)CC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HPGD P15428 2/20 0.52
MGLL Q99685 1/20 0.52
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL29364863 1.00 TDP1 (0.62) TDP1ERCC5FEN1ALDH1A1MAPK1
SCHEMBL5775638 0.88 ERCC5 (0.58) TDP1ERCC5FEN1ALDH1A1KMT2A
SCHEMBL4372575 0.85 ERCC5 (0.63) TDP1ERCC5FEN1ALDH1A1MAPK1
Imidazole SCHEMBL1867973 0.85 TDP1 (0.49) TDP1ERCC5FEN1ALDH1A1MAPK1
SCHEMBL7131562 0.85 TDP1 (0.47) TDP1ERCC5FEN1ALDH1A1MAPK1
SCHEMBL30228141 0.85 TDP1 (0.47) TDP1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7127425 0.85 TDP1 (0.47) TDP1ERCC5FEN1ALDH1A1MAPK1
SCHEMBL3412192 0.85 TDP1 (0.47) TDP1ALDH1A1KMT2AMEN1HPGD
SCHEMBL1110081 0.85 ERCC5 (0.63) TDP1ERCC5FEN1ALDH1A1MAPK1
SCHEMBL30683710 0.85 ERCC5 (0.63) TDP1ERCC5FEN1ALDH1A1MAPK1

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7316099-A None JP disclosed
CN-113980001-B Pyrazolol-pyridazinone coupling compound, pharmaceutical composition thereof and application of pyrazolol-pyridazinone coupling compound in medicines 贵州医科大学 2024-01-30 CN disclosed
CN-108558833-B Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-03-04 CN disclosed
CN-113980001-A Pyrazole alcohol-pyridazinone coupling compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-01-28 CN disclosed
EP-2496570-B1 PROCESS FOR THE PREPARATION OF 5-(2-AMINO-PYRIMIDIN-4-YL)-2-ARYL-1H-PYRROLE-3-CARBOXAMIDES NERVIANO MEDICAL SCIENCES SRL (IT) 2016-06-29 EP disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed
CN-1142492-A Substituted N-(indole-2-carbonyl)-glycinamides and derivatives as antidiabetic agents PFIZER (US) 1997-02-12 CN disclosed
JP-H07316099-A PRODUCTION OF SUBSTITUTED BENZOYL FATTY ACID DERIVATIVE NIPPON NOHYAKU CO LTD 1995-12-05 JP disclosed
WO-1995019967-A1 A PROCESS FOR THE PREPARATION OF 3-(SUBSTITUTED PHENYL) PYRAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-27 WO disclosed
US-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 US disclosed
EP-0027018-B1 PROCESS FOR THE PRODUCTION OF 2-CHLORO-4-SUBSTITUTED-5-THIAZOLECARBOXYLATES MONSANTO COMPANY (US) 1983-10-05 EP disclosed
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 US disclosed
US-4308391-A 2-Amino-4-substituted-thiazolecarboxylic acids and their derivatives MONSANTO COMPANY (US) 1981-12-29 US disclosed
EP-0027018-A1 Process for the production of 2-chloro-4-substituted-5-thiazolecarboxylates MONSANTO COMPANY (US) 1981-04-15 EP disclosed