SCHEMBL93270

SCHEMBL93270

O=C=Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 3/20 0.41
GSK3B P49841 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL29537333 1.00 CYP3A4 (0.52) CYP3A4HTR3EHTR3BHTR3AHTR3D
Methane SCHEMBL27995664 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078903 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9078906 0.98 CYP3A4 (0.50) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL6999020 0.96 CYP3A4 (0.48) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL7529492 0.90 CYP3A4 (0.48) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL11869772 0.88 HTR3E (0.55) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL9795278 0.87 CYP3A4 (0.41) CYP3A4HTR3EHTR3BHTR3AHTR3D
Carbamic Acid SCHEMBL11869786 0.87 HTR3E (0.53) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL17847486 0.83 CYP3A4 (0.45) CYP3A4HTR3EHTR3BHTR3AHTR3D

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 2055 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509547-B2 Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component BASF SE (DE) 2025-12-30 US claimed
CN-119977025-A Automatic wastewater treatment device and method for p-chlorophenyl isocyanate processing 濮阳市宏大圣导新材料有限公司 2025-05-13 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-118459291-B Bionic dynamic self-healing super-hydrophobic bio-based coated controlled release fertilizer and preparation method thereof 山东农业大学 2025-02-07 CN claimed
CN-119285541-A Pyridine dimethoxy phenylsemicarbazide derivative and preparation method and application thereof 浙江师范大学行知学院 2025-01-10 CN claimed
CN-119161580-A Amide group-containing polydisulfide degradable high polymer material and preparation method thereof 衢州化工新材料创新研究院 2024-12-20 CN claimed
CN-118459291-A Bionic dynamic self-healing super-hydrophobic bio-based coated controlled release fertilizer and preparation method thereof 山东农业大学 2024-08-09 CN claimed
CN-117448935-B Solid phase synthesis method of monocrystal Prussian blue sodium-electricity positive electrode material 哈尔滨工业大学 2024-07-09 CN claimed
CN-117886824-A 2, 3-dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof 四川大学华西医院 2024-04-16 CN claimed
CN-117448935-A Solid phase synthesis method of monocrystal Prussian blue sodium-electricity positive electrode material 哈尔滨工业大学 2024-01-26 CN claimed
WO-2000077570-A1 ELECTRICALLY SWITCHABLE COMPOSITE FILMS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2000-12-21 WO claimed
US-6019925-A TERTIARY AMINE OXIDE AKZO NOBEL NV (NL) 2000-02-01 US claimed
EP-0807460-A1 Cellulosic dialysis membrane Akzo Nobel N.V. (NL) 1997-11-19 EP claimed
US-5260483-A Preparation of n-aryl amides from isocyanates DREXEL UNIVERSITY (US) 1993-11-09 US claimed
EP-0204118-B1 POLYAMIDE MODIFIED BY A MONOISOCYANATE BAYER AG (DE) 1990-06-06 EP claimed
US-4918148-A IMPROVED FLOWABILITY, MOLD RELEASE AND-OR NOTCHED IMPACT STRENGTH BAYER AKTIENGESELLSCHAFT (DE) 1990-04-17 US claimed
EP-0204118-A1 Polyamide modified by a monoisocyanate BAYER AG (DE) 1986-12-10 EP claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-3948941-A NITRILE, FROM CARBOXYLIC ANHYDRIDES AND ISOCYANATES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-04-06 US claimed