SCHEMBL78239

SCHEMBL78239

CC(C)N(Sc1nc2ccccc2s1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 3/20 0.58
FBP1 P09467 2/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
MC5R P33032 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
CCR2 P41597 1/20 0.58
HTR6 P50406 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDK1 Q15118 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL29380841 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL9701728 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL6912219 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL9694295 0.84 CYP1A2 (0.55) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL11748410 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL1194508 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL29494847 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL8662853 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL12086023 0.79 FBP1 (0.48) ALDH1A1HSD17B10HPGDALOX15FBP1
SCHEMBL8585671 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDALOX15FBP1

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 1568 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269904-B2 Sulfur-modified chloroprene rubber and method for producing same, sulfur-modified chloroprene rubber composition, vulcanizate, and molded article DENKA COMPANY LIMITED (JP) 2025-04-08 US claimed
EP-4134399-B1 RUBBER COMPOSITION, VULCANIZED MATERIAL, AND MOLDED ARTICLE DENKA COMPANY LTD (JP) 2024-06-05 EP claimed
EP-4130136-B1 RUBBER COMPOSITION, VULCANIZED MATERIAL, AND MOLDED ARTICLE DENKA COMPANY LTD (JP) 2024-04-17 EP claimed
US-20230383082-A1 RUBBER FOAM COMPOSITION, FOAM AND MOLDED ARTICLE DENKA COMPANY LIMITED (JP) 2023-11-30 US claimed
EP-4223787-A1 RUBBER FOAM COMPOSITION, FOAM AND MOLDED ARTICLE Denka Company Limited (JP) 2023-08-09 EP claimed
EP-3971218-B1 SULFUR-MODIFIED CHLOROPRENE RUBBER AND METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZATE, AND MOLDED ARTICLE DENKA COMPANY LTD (JP) 2023-03-15 EP claimed
US-20230072612-A1 FLAME RETARDANT CHEMICAL COMPOSITIONS NORDTREAT FINLAND OY (FI) 2023-03-09 US claimed
EP-4134399-A1 RUBBER COMPOSITION, VULCANIZED MATERIAL, AND MOLDED ARTICLE Denka Company Limited (JP) 2023-02-15 EP claimed
EP-4130136-A1 RUBBER COMPOSITION, VULCANIZED MATERIAL, AND MOLDED ARTICLE Denka Company Limited (JP) 2023-02-08 EP claimed
EP-4097176-A1 FLAME RETARDANT CHEMICAL COMPOSITIONS Nordtreat Finland OY (FI) 2022-12-07 EP claimed
US-4839433-A QUICK-SETTING THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-06-13 US claimed
US-4719305-A Process for the preparation of N,N-diisopropylbenzothiazyl-2-sulfenamide THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-01-12 US claimed
EP-0195738-A2 Process for the preparation of N,N -diisopropyl-2-benzothiazyl-sulfenamide THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-09-24 EP claimed
US-4430466-A Benzothiazyl sulfenamides as scorch retardants for mercaptosilane-coupled silica filled-rubber compounds PHILLIPS PETROLEUM COMPANY (US) 1984-02-07 US claimed
US-4229325-A VULCANIZABLE COPOLYMERS OR TERPOLYMERS, A SULFUR DONOR, A DELAYED ACTION ACCELERATOR; GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-10-21 US claimed
US-4215022-A GEL-FREE EXXON RESEARCH & ENGINEERING CO. (US) 1980-07-29 US claimed
US-4160741-A Benzothiazole accelerators stabilized with oxirane compounds AMERICAN CYANAMID COMPANY (US) 1979-07-10 US claimed
US-4153584-A High molecular weight high unsaturation C4 -C10 isoolefin conjugated diolefin copolymers and multipolymers containing methylcyclopentadiene EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-08 US claimed
US-4012332-A BENZOTHIAZOLE SULFENAMIDE, A THIURAM SULFIDE OR METAL DITHIOCARBAMATE, COPPER 2-MERCAPTOBENZOTHIAZOLE AMERICAN CYANAMID COMPANY (US) 1977-03-15 US claimed
US-4002594-A THIOMORPHOLINE PPG INDUSTRIES, INC. (US) 1977-01-11 US claimed