SCHEMBL2814949

SCHEMBL2814949

Cc1c(C)c(C)c(N=C=O)c(N=C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL112221 0.97 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL7747680 0.94 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL28344084 0.91 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL57779 0.90 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL28795111 0.85 CYP3A4 (0.42) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL2835593 0.84 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL8769838 0.82 CYP3A4 (0.33) CYP3A4GABRA1GABRB2
SCHEMBL18126140 0.78 CYP3A4 (0.38) CYP3A4GABRA1GABRB2
SCHEMBL1459319 0.78 CYP3A4 (0.34) CYP3A4GABRA1GABRB2
SCHEMBL16707444 0.77 CYP3A4 (0.31) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801465-A Polyurethane microcellular foaming elastomer and preparation method and application thereof 中国科学院福建物质结构研究所 2021-12-17 CN claimed
CN-106431087-A Micro powder reinforced polyurethane-based high-strength waterproof heat preservation and decoration integrated material and preparation method thereof 东南大学 2017-02-22 CN claimed
CN-106398334-A Super-wear-resisting super-hydrophobic coating and preparation method thereof 东南大学 2017-02-15 CN claimed
US-20080090973-A1 Polyester polyols, a process for the production thereof and the use thereof BAYER MATERIALSCIENCE AG (DE) 2008-04-17 US claimed
EP-0033181-A1 Mixtures of branched-chain amines and derivatives thereof AKZO N.V. (NL) 1981-08-05 EP claimed
CN-119529212-A Urethane prepolymer, adhesive, laminate, and synthetic artificial leather 大日精化工业株式会社 2025-02-28 CN disclosed
CN-119286329-A Water-based release agent and preparation method thereof 惠州市岱乐新材料科技有限公司 2025-01-10 CN disclosed
CN-118235086-A Radiation-sensitive composition comprising a combination of metals or metalloid compounds 埃斯普投资有限公司 2024-06-21 CN disclosed
CN-115503271-A Method for preparing polyurethane composite material 科思创德国股份有限公司 2022-12-23 CN disclosed
CN-111978474-B Preparation method of low-viscosity high-hydroxyl-value polymer surface reinforcing agent for paper 浙江恒川新材料有限公司 2022-03-29 CN disclosed
CN-113817354-A Laminating printing ink comprising an aqueous dispersion containing polyurethane 巴斯夫欧洲公司 2021-12-21 CN disclosed
CN-111018630-B Functional coated diammonium phosphate based on fulvic acid compatibility dyeing and preparation method thereof 山东农业大学 2021-10-08 CN disclosed
US-4283314-A FOR VINYL CHLORIDE HOMOPOLYMER OR COPOLYMERS AKZONA INCORPORATED (US) 1981-08-11 US disclosed
EP-0033181-A1 Mixtures of branched-chain amines and derivatives thereof AKZO N.V. (NL) 1981-08-05 EP disclosed
EP-0032777-A2 Process for the preparation of sulphur-containing additives for use in lubricant compositions and a lubricant composition in which there is incorporated a sulphur-containing additive AKZO N.V. (NL) 1981-07-29 EP disclosed
EP-0013461-A1 Process for the preparation of a segmented thermoplastic elastomer AKZO N.V. (NL) 1980-07-23 EP disclosed
EP-0011325-A1 Resin composition having improved internal and external lubricating properties AKZO N.V. (NL) 1980-05-28 EP disclosed
EP-0010808-A2 Novel branched-chain monoalcohols and derivatives thereof, lubricant compositions for polymers and wax compositions in which these novel products are incorporated AKZO N.V. (NL) 1980-05-14 EP disclosed
EP-0010809-A1 A wax composition for entirely or partly replacing carnauba wax or montan wax AKZO N.V. (NL) 1980-05-14 EP disclosed
US-4102868-A Composition and process for the preparation of segmented polyester-urethane polymers MONSANTO COMPANY (US) 1978-07-25 US disclosed