SCHEMBL509522

SCHEMBL509522

COc1ccc(C#N)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.66
SLC6A4 P31645 2/20 0.49
CA2 P00918 2/20 0.48
ACHE P22303 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM1A O60341 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL29490258 1.00 AR (0.66) ARSLC6A4CA2ACHECA12
SCHEMBL21501064 0.94 AR (0.60) ARSLC6A4CA2ACHECA12
Acetone SCHEMBL28054480 0.90 AR (0.57) ARCA2CA12CA1CA7
Ammonia Solution, Strong SCHEMBL3939793 0.90 AR (0.57) ARSLC6A4CA2ACHECA12
SCHEMBL8119447 0.88 AR (0.58) ARSLC6A4PDE4APDE4BPDE4C
SCHEMBL13019869 0.85 AR (0.55) ARSLC6A4USP2ALDH1A1KDM4E
SCHEMBL1964286 0.85 TRPV4 (0.56) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL6944897 0.85 TRPV4 (0.56) ARSLC6A4PDE4APDE4BPDE4C
SCHEMBL524383 0.85 AR (0.55) ARSLC6A4USP2ALDH1A1KDM4E
SCHEMBL15869350 0.85 TRPV4 (0.56) ARPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185955-A Preparation method of 3, 4-dimethoxy benzonitrile 河北圣泰材料股份有限公司 2023-12-08 CN claimed
CN-115566286-A Method for improving activity of lithium iron phosphate at low temperature 江西智锂科技股份有限公司 2023-01-03 CN claimed
CN-110668972-B Preparation method of 3, 4-dimethoxy benzonitrile 河南睿嵩检测技术有限公司 2022-03-29 CN claimed
CN-107394267-B Electrolyte and lithium ion battery 湛江市金灿灿科技有限公司 2021-06-25 CN claimed
CN-111302970-B Preparation method of 3, 4-dimethoxy benzonitrile 河南农业大学 2021-04-27 CN claimed
CN-111303444-B Metal organic framework material with dynamic structural change and preparation method thereof 武汉大学 2021-01-01 CN claimed
CN-111303444-A Metal organic framework material with dynamic structural change and preparation method thereof 武汉大学 2020-06-19 CN claimed
CN-111302970-A Preparation method of 3, 4-dimethoxy benzonitrile 河南农业大学 2020-06-19 CN claimed
CN-110668972-A Preparation method of 3, 4-dimethoxy benzonitrile 河南睿嵩检测技术有限公司 2020-01-10 CN claimed
EP-3443950-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2019-02-20 EP claimed
WO-1996036589-A1 PROCESS FOR PRODUCING N-METHYL-2-(3,4 DIMETHOXYPHENYL)-ETHYLAMINE BASF AKTIENGESELLSCHAFT (DE) 1996-11-21 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0211271-B1 PROCESS FOR THE PREPARATION OF VERATRYL CYANIDE BASF Aktiengesellschaft (DE) 1988-10-12 EP claimed
US-4661610-A Preparation of veratryl cyanide BASF AKTIENGESELLSCHAFT (DE) 1987-04-28 US claimed
EP-0211271-A1 Process for the preparation of veratryl cyanide BASF Aktiengesellschaft (DE) 1987-02-25 EP claimed
EP-0142070-B1 PROCESS FOR THE PREPARATION OF N-METHYLHOMOVERATRYL AMINE BASF Aktiengesellschaft (DE) 1986-07-09 EP claimed
EP-0142070-A1 Process for the preparation of N-methylhomoveratryl amine BASF Aktiengesellschaft (DE) 1985-05-22 EP claimed