SCHEMBL757183

SCHEMBL757183

O=C(N[S])C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
EPHX1 P07099 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NAAA Q02083 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL12323193 0.78 HDAC8 (0.67) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL7056987 0.78 HDAC8 (0.67) HDAC8HDAC6EPHX1CES2CES1
Hydrochloric Acid SCHEMBL8467658 0.77 HDAC8 (0.58) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL14050751 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL28376355 0.76 HDAC8 (0.64) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL18513474 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL18513475 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL3077769 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5140992 0.76 HDAC6 (1.00) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL23192018 0.74 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891049-B1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI SA (FR) 2017-07-19 EP disclosed
EP-2240179-B1 IMIDAZOPYRIDAZINE AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2016-08-17 EP disclosed
EP-2226319-B1 Process for the preparation of 2-(2-aminopyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives SANOFI SA (FR) 2016-03-16 EP disclosed
EP-1937673-B1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2015-10-21 EP disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP disclosed
EP-1841772-B1 TETRAHYDROFURANE DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI SA (FR) 2015-05-06 EP disclosed
EP-2558465-B1 TRICYCLIC PYRIDYL-VINYL-PYROLES AS PAR1 INHIBITORS SANOFI SA (FR) 2014-12-17 EP disclosed
EP-2558462-B1 Pyridyl-vinyl-pyrazolo-chinolines as PAR1 inhibitors SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2300462-B1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2014-05-21 EP disclosed
EP-0861236-A1 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED ALPHA-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1997018194-A1 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED α-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed
EP-0764637-A2 2-Cyano-3-mercaptocrotonamides HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-26 EP disclosed
EP-0749429-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed
EP-0703239-A1 Aminomethylphosphonic and aminomethylphosphinic acids derivatives and their use in the treatment of degenerative articular diseases HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-27 EP disclosed
WO-1995024397-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-14 WO disclosed
EP-0313997-B1 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AG (DE) 1994-03-09 EP disclosed
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed
EP-0313997-A2 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-03 EP disclosed
EP-0276805-A2 Substituted 3-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-ones, processes for their preparation, medicaments containing them and their use as well as some of the intermediates obtained during the preparation of said compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed