SCHEMBL1399545

SCHEMBL1399545

C=CCSc1ccccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.50
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 5/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 3/20 0.40
CYP3A4 P08684 2/20 0.40
ICMT O60725 1/20 0.40
GMNN O75496 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CDK2 P24941 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8983732 0.86 CYP1A2 (0.44) CYP1A2HSD17B10GAAMAPTTSHR
Benzene SCHEMBL27474313 0.84 CYP1A2 (0.61) CYP1A2HSD17B10GAAMAPTTSHR
SCHEMBL6248402 0.84 CYP1A2 (0.61) CYP1A2HSD17B10GAAMAPTTSHR
SCHEMBL11756536 0.83 CYP1A2 (0.42) CYP1A2HSD17B10MAPTTSHRALDH1A1
SCHEMBL13784467 0.83 POLB (0.46) CYP1A2HSD17B10GAAMAPTTSHR
SCHEMBL8667770 0.81 LMNA (0.48) SIRT1KDM4ECYP1A2HSD17B10GAA
SCHEMBL7584830 0.80 RAB9A (0.47) CYP1A2HSD17B10GAAMAPTTSHR
SCHEMBL11784378 0.79 CYP1A2 (0.40) KDM4ECYP1A2HSD17B10GAANPSR1
Phenylhydrazine SCHEMBL11784450 0.77 CYP1A2 (0.49) KDM4ECYP1A2HSD17B10GAAMAPT
SCHEMBL6780943 0.77 PTGS2 (0.53) SIRT1KDM4ECYP1A2HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1086693-C Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICAL CO LTD (JP) 2002-06-26 CN claimed
CN-1215721-A Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1999-05-05 CN claimed
CN-1215722-A Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1999-05-05 CN claimed
CN-1042530-C Process for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 1999-03-17 CN claimed
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 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
CN-1107837-A Process for producing alkylsulfinylbenzamides and 1, 2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1995-09-06 CN 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
JP-7196638-A None JP disclosed
JP-7330745-A None JP disclosed
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP disclosed
US-7737170-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
US-7737171-B2 Uses of 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRIS H. LUNDBECK A/S (DK) 2010-06-15 US disclosed
JP-H07196638-A PRODUCTION OF 1,2-BENZISOTHIAZOL-3-ONES SUMITOMO SEIKA CHEM CO LTD 1995-08-01 JP 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
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed
EP-0067615-B1 ALKYLTHIO DERIVATIVES OF AZABICYCLOBENZAMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1986-01-08 EP disclosed
US-4499099-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS BEECHAM GROUP P.L.C. (GB) 1985-02-12 US disclosed
EP-0067615-A1 Alkylthio derivatives of azabicyclobenzamides, their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed