SCHEMBL8626451

SCHEMBL8626451

CC(C)(C)Sc1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.55
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
METAP2 P50579 1/20 0.42
BCAT2 O15382 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL10447747 0.82 POLB (0.61) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16925206 0.82 SIRT1 (0.41) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL149060 0.81 SIRT1 (0.55) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL16940013 0.81 CETP (0.40) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL701691 0.78 SIRT1 (0.60) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL3077375 0.77 SIRT1 (0.77) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL29530768 0.77 SIRT1 (0.64) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL11821622 0.77 SIRT1 (0.64) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL1399456 0.77 SIRT1 (0.64) SIRT1KDM4EALDH1A1HPGDMAPT
SCHEMBL7218203 0.77 MEN1 (0.45) KDM4EALDH1A1HPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003113-B Synthetic method of medicine for treating diabetes 上海工程技术大学 2021-06-11 CN claimed
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP claimed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
CN-108003113-B Synthetic method of medicine for treating diabetes 上海工程技术大学 2021-06-11 CN disclosed
CN-108003113-B Synthetic method of medicine for treating diabetes 上海工程技术大学 2021-06-11 CN disclosed
CN-108374182-B A kind of new method of electrochemistry formated 1,2,4- thiadiazole compound 广西师范大学 2019-08-16 CN disclosed
CN-108374182-A A kind of new method of electrochemistry formated 1,2,4- thiadiazole compounds 广西师范大学 2018-08-07 CN disclosed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed