SCHEMBL29364508

SCHEMBL29364508

O=C=NCc1ccccc1CN=C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MIF P14174 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CTBP2 P56545 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
TSHR P16473 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL127043 1.00 GABRA1 (0.41) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
Water SCHEMBL5172983 0.97 GABRA1 (0.40) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
Benzene SCHEMBL28107745 0.97 GABRA1 (0.40) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL28225610 0.97 GABRA1 (0.40) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
Propane SCHEMBL28338597 0.93 GABRA1 (0.47) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL8763269 0.93 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL28454008 0.93 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL5945281 0.93 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1ALDH1A1
SCHEMBL1457269 0.91 GABRA1 (0.50) GABRA1GABRB2CYP3A4TSHR
Trimethylammonium SCHEMBL28053835 0.91 GABRA1 (0.41) GABRA1GABRB2CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638625-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2025-10-29 EP claimed
EP-3527636-B1 A COATING COMPOSITION PPG IND OHIO INC (US) 2025-08-27 EP claimed
CN-119799147-A Polyphosphazene modified polyurethane-based spraying heat insulation material and preparation method thereof 湖北三江航天江河化工科技有限公司 2025-04-11 CN claimed
EP-4021629-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-04 EP claimed
CN-118255972-A Synthesis method and application of hydroxyl-terminated polyester 江苏湘园化工有限公司 2024-06-28 CN claimed
WO-2024137498-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2024-06-27 WO claimed
CN-117285861-A Spray-coating quick-drying bio-based polyurethane waterproof coating and preparation method thereof 中建材苏州防水研究院有限公司 2023-12-26 CN claimed
CN-117143513-A Spray-coating quick-drying polyurethane waterproof coating and preparation method thereof 中建材苏州防水研究院有限公司 2023-12-01 CN claimed
CN-117106158-A Preparation method and product of sound absorption and insulation integrated honeycomb composite material 哈尔滨工程大学 2023-11-24 CN claimed
US-20230287240-A1 Coating Composition PPG INDUSTRIES OHIO, INC. 2023-09-14 US claimed
WO-2023124283-A1 CONDUCTIVE INK AND ELECTRONIC DEVICE 北京梦之墨科技有限公司 2023-07-06 WO claimed
WO-2023124282-A1 CONDUCTIVE PASTE THAT CURES AT LOW TEMPERATURE, AND ELECTRONIC DEVICE 北京梦之墨科技有限公司 2023-07-06 WO claimed
CN-116333248-A Preparation method of polyurethane elastomer and chain extender used by same 江苏湘园化工有限公司 2023-06-27 CN claimed
CN-114231020-B Quick-drying packaging material for thin film capacitor and production process thereof 四川中星电子有限责任公司 2023-05-26 CN claimed
CN-115260836-A Reference electrode silver-silver chloride conductive ink for CGM and preparation method thereof 北京深纳普思人工智能技术有限公司 2022-11-01 CN claimed
CN-111727230-B Composition based on polyurethane comprising at least two acrylic functional groups 博斯蒂克股份公司 2022-10-28 CN claimed
WO-2022183783-A1 CONDUCTIVE PASTE AND ELECTRONIC DEVICE 北京梦之墨科技有限公司 2022-09-09 WO claimed
EP-4021629-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-07-06 EP claimed
CN-114340775-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2022-04-12 CN claimed
CN-114231020-A Quick-drying packaging material for film capacitor and production process thereof 四川中星电子有限责任公司 2022-03-25 CN claimed