SCHEMBL75112

SCHEMBL75112

O=C=Nc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAC1 P63000 1/20 0.36
PAK1 Q13153 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL29648814 1.00 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8093597 0.89 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10624633 0.88 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
Tetrahydrofuran SCHEMBL28282050 0.87 CYP3A4 (0.37) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29263347 0.85 CYP3A4 (0.41) CYP3A4ALDH1A1TRPA1
SCHEMBL8595135 0.83 CYP3A4 (0.34) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7528335 0.83 CYP3A4 (0.45) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29648824 0.82 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1513863 0.82 CYP3A4 (0.47) CYP3A4LMNAGAATDP1
SCHEMBL59215 0.82 CYP3A4 (0.47) CYP3A4GRIN2DGRIN3BGRIN1GRIN2A

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 1108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118419908-A Preparation method of eucalyptus-based hard carbon negative electrode material 浙江鑫钠新材料科技有限公司 2024-08-02 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-116217486-B Fluorescent compound and preparation method and application thereof 厦门大学 2024-05-14 CN claimed
CN-118016995-A Non-aqueous electrolyte containing aromatic isocyanate and lithium ion battery 诺莱特电池材料(苏州)有限公司 2024-05-10 CN claimed
CN-117947636-A Mildew-proof antibacterial diffuse reflection curtain and manufacturing method thereof 东莞市晶致光学薄膜有限公司 2024-04-30 CN claimed
CN-117916224-A Thermodynamically stable form of SCO-101 思坎迪昂肿瘤学股份有限公司 2024-04-19 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-117004037-A Functionalized column arene polyrotaxane and preparation method and application thereof 浙江大学杭州国际科创中心 2023-11-07 CN claimed
CN-113354778-B Solid polycarboxylate superplasticizer and preparation method thereof 中建西部建设建材科学研究院有限公司 2023-10-03 CN claimed
CN-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 CN claimed
EP-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP claimed
EP-1797037-A1 PROCESS FOR THE PREPARATION OF 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENYOXY}N-METHYLPYRIDINE-2-CARBOXAMIDE Bayer HealthCare AG (DE) 2007-06-20 EP claimed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO claimed
WO-2006034796-A1 PROCESS FOR THE PREPARATION OF 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE BAYER HEALTHCARE AG (DE) 2006-04-06 WO claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
WO-2000048964-A1 METALLIC OR CERAMIC POWDER WITH A PROTECTIVE COATING H. C. STARCK GMBH & CO. KG (DE) 2000-08-24 WO claimed
EP-0129214-B1 METHOD FOR THE PREPARATION OF BENZENAMINES OCCIDENTAL CHEMICAL CORPORATION (US) 1986-10-29 EP claimed
US-4578514-A Synthesis of sulfilimines MONSANTO COMPANY (US) 1986-03-25 US 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