SCHEMBL58454

SCHEMBL58454

O=C=Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL29525471 1.00 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7526375 0.92 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29849595 0.90 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Toluene SCHEMBL5198560 0.89 HTT (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10624681 0.89 MAPK1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31185231 0.89 MAPK1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28692678 0.85 CYP3A4 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8675079 0.82 ACHE (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2926794 0.81 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2926796 0.81 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C

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

Appears in 2396 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025722-A Waterproof coating for building and manufacturing method thereof 红蝴蝶(山东)涂料工程有限公司 2025-05-23 CN claimed
CN-119662137-A Easy-to-detach adhesive tape, preparation method and application of easy-to-detach adhesive tape in die-cut piece 赛维精密科技(广东)有限公司 2025-03-21 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-117886645-B Self-repairing modified bio-based coating material with super-strong mechanical property and preparation method thereof 山东农业大学 2025-01-24 CN claimed
CN-118253468-A Method for preparing coating, coating and device 江苏菲沃泰纳米科技股份有限公司 2024-06-28 CN claimed
CN-117886645-A Self-repairing modified bio-based coating material with super-strong mechanical property and preparation method thereof 山东农业大学 2024-04-16 CN claimed
CN-117736482-A Micro-foaming polyimide layered film with ultralow dielectric constant 聚埃麦德(苏州)科技有限公司 2024-03-22 CN claimed
CN-114349707-B N-substituted urea compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-01-09 CN claimed
CN-116845345-A Preparation method of gel quasi-solid electrolyte, gel quasi-solid electrolyte and lithium ion battery 阜新德尔汽车部件股份有限公司 2023-10-03 CN claimed
CN-116768764-A Process for preparing urea derivatives 安道麦阿甘有限公司 2023-09-19 CN claimed
WO-1997016467-A1 POLYURETHANES AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO claimed
US-5248752-A Improved moisture resistance, inks, coatings, sealants, adhesives UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-09-28 US claimed
EP-0542220-A1 Polyurethanes and processes for preparing same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP claimed
EP-0542219-A2 Polyurethane (meth)acrylates and processes for preparing same UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-19 EP claimed
US-4918148-A IMPROVED FLOWABILITY, MOLD RELEASE AND-OR NOTCHED IMPACT STRENGTH BAYER AKTIENGESELLSCHAFT (DE) 1990-04-17 US claimed
EP-0129214-B1 METHOD FOR THE PREPARATION OF BENZENAMINES OCCIDENTAL CHEMICAL CORPORATION (US) 1986-10-29 EP claimed
EP-0129214-A1 Method for the preparation of benzenamines OCCIDENTAL CHEMICAL CORPORATION (US) 1984-12-27 EP claimed
US-4481370-A REACTING HYDROGEN FLUORIDE WITH A PHENYL CARBAMIC FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-11-06 US claimed
US-4359426-A Process for the production of aromatic isocyanates containing aromatically bound sulfochloride groups BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US claimed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP claimed