SCHEMBL223716

SCHEMBL223716

CCCCNSc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FBP1 P09467 2/20 0.54
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ALOX15 P16050 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
MC5R P33032 1/20 0.51

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
Water SCHEMBL27842367 0.99 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL30287604 0.96 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL2671229 0.96 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL8511312 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL8512840 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL31279597 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL15463349 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL30287610 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL3441209 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1
SCHEMBL8514571 0.94 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307853-A Low-rolling-resistance low-heat-generation rubber composition and preparation method and application thereof 厦门正新橡胶工业有限公司 2024-07-09 CN claimed
CN-116496715-B Composite type shaping TPU high-low temperature film and preparation method thereof 广东中鼎科技发展有限公司 2024-06-28 CN claimed
CN-118165425-A Halogen-free flame-retardant ethylene propylene diene monomer foam material and preparation method thereof 福建诏安传琪新材料有限公司 2024-06-11 CN claimed
CN-118165387-A Super wear-resistant rubber material and preparation method and application thereof 青岛青橡橡胶有限公司 2024-06-11 CN claimed
CN-118126418-A Cis-1, 4-polybutadiene rubber composition for slurry pump, and preparation method and application thereof 河北技投机械设备有限公司 2024-06-04 CN claimed
CN-118085508-A Degradable rubber material for shoes and preparation method thereof 李宁(中国)体育用品有限公司 2024-05-28 CN claimed
CN-118063501-A Silane coupling agent and rubber composition containing same 赛轮集团股份有限公司 2024-05-24 CN claimed
CN-110144066-B Water-absorbing expansion rubber and preparation method thereof, sole and shoe 李宁(中国)体育用品有限公司 2024-05-10 CN claimed
CN-118006009-A Rubber composition and preparation method and application thereof 安徽佳通乘用子午线轮胎有限公司 2024-05-10 CN claimed
CN-117944334-A Protective film, preparation method thereof and fan blade using protective film 龙源(北京)新能源工程技术有限公司 2024-04-30 CN claimed
WO-2000037267-A1 TIRE FOR VEHICLES HAVING A HIGH WEAR RESISTANCE AND VULCANIZABLE RUBBER COMPOSITION FOR MAKING THE SAME PIRELLI PNEUMATICI S.P.A. (IT) 2000-06-29 WO claimed
WO-1999058516-A1 PROCESS FOR THE MANUFACTURE OF A SULFENIMIDE FLEXSYS AMERICA L.P. (US) 1999-11-18 WO claimed
EP-0504320-B1 METHOD FOR PREPARING STERICALLY HINDERED ARYL PHOSPHITES UNIROYAL CHEM CO INC (US) 1994-09-21 EP claimed
US-5254709-A Catalytic reaction of phosphorus trihalide with a phenolic compound UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-10-19 US claimed
EP-0504320-A1 METHOD FOR PREPARING STERICALLY HINDERED ARYL PHOSPHITES. UNIROYAL CHEM CO INC (US) 1992-09-23 EP claimed
WO-1991009040-A1 METHOD FOR PREPARING STERICALLY HINDERED ARYL PHOSPHITES UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-06-27 WO 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-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-4080493-A POLYBUTADIENE, POLYISOPRENE, GELATION INHIBITOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-21 US claimed