SCHEMBL5534668

SCHEMBL5534668

[CH2]CCc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.41
FFAR1 O14842 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLAU P00749 1/20 0.35
GALR3 O60755 1/20 0.35
NOX4 Q9NPH5 1/20 0.35

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
SCHEMBL2049305 0.88 CYP19A1 (0.41) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL2154210 0.86 SMN1; SMN2 (0.49) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL5544665 0.86 CYP19A1 (0.40) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL840560 0.82 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248440 0.82 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248935 0.82 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL3987067 0.78 CYP19A1 (0.43) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL11337847 0.78 MEN1 (0.43) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL14027044 0.78 SMN1; SMN2 (0.44) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL3632404 0.78 TSHR (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
US-20210071006-A1 AQUEOUS DISPERSION OF COLORED PARTICLES MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2021-03-11 US disclosed
EP-3725854-A1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2020-10-21 EP disclosed
EP-3444304-A1 POLYFUNCTIONAL POLYMERIZABLE COMPOUND AND COLORED COMPOSITION FUJIFILM Wako Pure Chemical Corporation (JP) 2019-02-20 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
CN-1051926-A ELECTROOPTIC LIQUID CRYSTAL SYSTEM MERCK PATENT GES MIT BESSCHRAN (DE) 1991-06-05 CN disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed