SCHEMBL3038672

SCHEMBL3038672

NC(=O)Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.47
MAPT P10636 4/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.44
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3087191 0.83 FFAR1 (0.48) SIRT1MAPTHSD17B10CYP3A4CYP2C19
SCHEMBL2509039 0.78 FFAR1 (0.48) SIRT1MAPTHSD17B10CYP3A4CYP2C19
SCHEMBL1672797 0.78 FFAR1 (0.48) SIRT1MAPTHSD17B10CYP3A4CYP2C19
SCHEMBL28484036 0.77 SIRT1 (0.41) SIRT1MAPTHSD17B10CYP3A4CYP2C19
SCHEMBL11572273 0.77 HPGD (0.44) MAPTHSD17B10RECQLTDP1FFAR1
SCHEMBL3643658 0.77 SIRT1 (0.41) SIRT1MAPTHSD17B10CYP3A4CYP2C19
Urea SCHEMBL27863158 0.76 HPGD (0.67) SIRT1MAPTHSD17B10CYP3A4CYP2C19
Diphenylsulfane SCHEMBL28278324 0.76 SIRT1 (0.59) SIRT1MAPTHSD17B10CYP3A4CYP2C19
Diphenylsulfane SCHEMBL27619579 0.76 SIRT1 (0.59) SIRT1MAPTHSD17B10CYP3A4CYP2C19
SCHEMBL6972010 0.76 FFAR1 (0.52) SIRT1MAPTHSD17B10TSHRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894421-A Hg is discerned to high selectivity 2+ Flavonol thiocarbonate fluorescent probe and preparation method and application thereof 南京林业大学 2023-04-04 CN claimed
CN-115403978-B Natural real mineral varnish coating structure of outer wall 中铁十八局集团北京工程有限公司 2023-03-17 CN claimed
CN-115745899-A Mercury (II) fluorescent probe, preparation method and application thereof 郑州师范学院 2023-03-07 CN claimed
CN-115650954-A Preparation method of apatamide related substance 江苏海悦康医药科技有限公司 2023-01-31 CN claimed
CN-115403978-A Natural real mineral varnish of outer wall scribbles layer structure 中铁十八局集团北京工程有限公司 2022-11-29 CN claimed
CN-111051276-B Method for producing isocyanates 科思创德国股份有限公司 2022-09-09 CN claimed
CN-112961087-A Preparation process of high-yield phenyl isothiocyanate derivative 刘科技 2021-06-15 CN claimed
CN-109438426-B Half-cyanine-based reactive type Hg2+ fluorescent probe Cy-PT and preparation method and application thereof 湖北大学 2021-04-27 CN claimed
CN-111777573-A Fluorescent probe responding to mercury and preparation method thereof 三峡大学 2020-10-16 CN claimed
CN-107266397-B A kind of preparation and application of thiocarbamates hypochlorous acid fluorescence probe 闫语 2018-03-02 CN claimed
CN-107266397-A A kind of preparation and application of thiocarbamates hypochlorous acid fluorescence probe 闫语 2017-10-20 CN claimed
CN-103764140-A Indanone derivatives, pharmaceutically acceptable salts or optical isomers thereof, preparation method for same, and pharmaceutical compositions containing same as active ingredient for preventing or treating viral diseases KOREA RES INST CHEM TECH 2014-04-30 CN claimed
CN-102584661-A Preparation method of substituted phenylthiosemicarbazide compound INST OCEANOLOGY CHINESE ACAD 2012-07-18 CN claimed
US-20030050248-A1 Novel amino acid and peptide inhibitors of Staphylococcus virulence PANORAMA RESEARCH, INC. 2003-03-13 US claimed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP claimed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO claimed
US-5925762-A REACTING PRIMARY PHENYL CARBAMATE OR THIOCARBAMATE WITH AMMONIA, A PRIMARY OR SECONDARY AMINE IN DIMETHYLSULFOXIDE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-07-20 US claimed
EP-0314505-B1 Herbicidal pyridine sulfonylureas DU PONT (US) 1994-02-16 EP claimed
EP-0271208-B1 HERBICIDAL PYRIDINE N-OXIDE SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-21 EP claimed
EP-0314505-A2 Herbicidal pyridine sulfonylureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-03 EP claimed