SCHEMBL434622

SCHEMBL434622

COc1cccc(-c2ccccc2)c1OC.N=C=O.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
STIM1 Q13586 2/20 0.44
ORAI1 Q96D31 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
HTT P42858 1/20 0.43
NAAA Q02083 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NFE2L2 Q16236 1/20 0.41
TOP1 P11387 1/20 0.41

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
SCHEMBL29788121 0.89 NFE2L2 (0.49) BACE1FFAR4STIM1ORAI1ADORA3
SCHEMBL357250 0.89 NFE2L2 (0.49) BACE1FFAR4STIM1ORAI1ADORA3
Iodide SCHEMBL29162112 0.88 NFE2L2 (0.47) BACE1FFAR4STIM1ORAI1ADORA3
SCHEMBL8124287 0.86 STIM1 (0.47) BACE1FFAR4STIM1ORAI1ADORA3
SCHEMBL10595717 0.86 STIM1 (0.47) BACE1FFAR4STIM1ORAI1ADORA3
Methyl Alcohol SCHEMBL28815313 0.86 FFAR4 (0.48) BACE1FFAR4STIM1ORAI1ADORA3
Toluene SCHEMBL27771682 0.83 NFE2L2 (0.45) BACE1FFAR4STIM1ORAI1ADORA3
SCHEMBL3643542 0.82 NFE2L2 (0.46) BACE1FFAR4STIM1ORAI1HTT
Propionaldehyde SCHEMBL28861913 0.81 FFAR4 (0.45) BACE1FFAR4STIM1ORAI1ADORA3
SCHEMBL28095071 0.81 FFAR4 (0.45) BACE1FFAR4STIM1ORAI1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290924-A Organic silicon foaming material and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
CN-117958257-A Compound pesticide microcapsule suspending agent and preparation method thereof 中国药科大学 2024-05-03 CN claimed
CN-117751150-A Process for preparing alkoxylated polyphenol mixtures and use of said mixtures 索普瑞玛公司 2024-03-22 CN claimed
CN-117050256-A Polymerizable composition 华为技术有限公司 2023-11-14 CN claimed
CN-116997590-A Polyol and process for producing the same 巴斯夫欧洲公司 2023-11-03 CN claimed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN claimed
CN-115011053-B High-reflection fractal structure hydrogel, and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2023-08-01 CN claimed
CN-116084181-A Flexible stab-resistant and bulletproof textile and manufacturing method thereof 西京学院 2023-05-09 CN claimed
CN-116082661-A Anti-migration macromolecular self-initiated aqueous fluorosilicone modified polyurethane emulsion and preparation method thereof 长沙广欣新材料科技有限公司 2023-05-09 CN claimed
CN-113999336-B Star-shaped cis-1, 4-polyisoprene with high Green strength and preparation method thereof 中国科学院长春应用化学研究所 2022-11-15 CN claimed
CN-111886287-A Cardanol blocked isocyanate adhesion promoters for PVC plastisols 赢创运营有限公司 2020-11-03 CN claimed
CN-109021891-A Natural rubber single-coating-type Heat vulcanization adhesive 合肥德济新材料科技有限公司 2018-12-18 CN claimed
CN-108410133-A The low flow prepreg of its preparation of resin combination and application 苏州生益科技有限公司 2018-08-17 CN claimed
CN-108384236-A A kind of resin combination and the low flow prepreg using its preparation 苏州生益科技有限公司 2018-08-10 CN claimed
CN-108359221-A A kind of resin combination and the low flow prepreg using its preparation 苏州生益科技有限公司 2018-08-03 CN claimed
US-20140190690-A1 OIL FORMULATION FOR PREVENTING WATER PENETRATION IN UNDERGROUND FORMATIONS RHODIA OPERATIONS (FR) 2014-07-10 US claimed
EP-2164920-B1 OIL FORMULATION FOR PREVENTING WATER PENETRATION IN UNDERGROUND FORMATIONS RHODIA OPERATIONS (FR) 2011-10-26 EP claimed
US-20100210485-A1 Oil Formulation for Preventing Water Penetration in Underground Formations RHODIA OPERATIONS (FR) 2010-08-19 US claimed
EP-2164920-A1 OIL FORMULATION FOR PREVENTING WATER PENETRATION IN UNDERGROUND FORMATIONS Rhodia Opérations (FR) 2010-03-24 EP claimed
WO-2009003857-A1 OIL FORMULATION FOR PREVENTING WATER PENETRATION IN UNDERGROUND FORMATIONS RHODIA OPERATIONS (FR) 2009-01-08 WO claimed