SCHEMBL4067893

SCHEMBL4067893

CCCCc1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
NCF1 P14598 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
PDE10A Q9Y233 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL31125170 1.00 CYP2A6 (0.48) CYP2A6F12PLAUNCF1NOS3
Iodide SCHEMBL2453300 0.98 CYP2A6 (0.47) CYP2A6F12PLAUNCF1NOS3
Bromide SCHEMBL6680136 0.98 CYP2A6 (0.47) CYP2A6F12PLAUNCF1NOS3
Hydrochloric Acid SCHEMBL26126612 0.98 CYP2A6 (0.47) CYP2A6F12PLAUNCF1NOS3
SCHEMBL2030595 0.95 CYP2A6 (0.47) CYP2A6F12PLAUNCF1NOS3
SCHEMBL4764703 0.93 CYP2A6 (0.46) CYP2A6F12PLAUNCF1NOS3
SCHEMBL4062603 0.93 CYP2A6 (0.46) CYP2A6F12PLAUNCF1NOS3
SCHEMBL3905155 0.93 CYP2A6 (0.46) CYP2A6F12PLAUNCF1NOS3
SCHEMBL4058130 0.93 CYP2A6 (0.46) CYP2A6F12PLAUNCF1NOS3
SCHEMBL4060780 0.93 CYP2A6 (0.46) CYP2A6F12PLAUNCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745931-B Process for desulfurization of heavy oil 中国石油化工股份有限公司 2022-12-09 CN claimed
CN-112742477-B Liquid desulfurization catalyst and preparation method and application thereof 中国石油化工股份有限公司 2022-11-15 CN claimed
CN-112742477-A Liquid desulfurization catalyst and preparation method and application thereof 中国石油化工股份有限公司 2021-05-04 CN claimed
CN-112745931-A Process for desulfurization of heavy oil 中国石油化工股份有限公司 2021-05-04 CN claimed
EP-0684613-A2 Semiconductive polymer member, method for making the same, and device comprising the member Bridgestone Corporation (JP) 1995-11-29 EP claimed
EP-0327448-B1 IMPREGNATION PROCESS OF ELECTROLYTIC CAPACITORS WITH TCNQ SALTS COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES LCC (FR) 1993-04-07 EP claimed
EP-0332498-A1 Metal strip for the production of solid electrolytic capacitors, process for its production and capacitors obtained THOMSON-CSF (FR) 1989-09-13 EP claimed
EP-0327448-A1 Impregnation process of electrolytic capacitors with TCNQ salts COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES LCC (FR) 1989-08-09 EP claimed
US-4855022-A Method for the impregnation of electrolytic capacitors with tetracyanoquinodimethane salts COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES (FR) 1989-08-08 US claimed
JP-62198655-A None JP disclosed
JP-2265901-A None JP disclosed
CN-112745931-B Process for desulfurization of heavy oil 中国石油化工股份有限公司 2022-12-09 CN disclosed
CN-112742477-B Liquid desulfurization catalyst and preparation method and application thereof 中国石油化工股份有限公司 2022-11-15 CN disclosed
CN-109721462-B Method for preparing long-chain alkyl benzene 中国石油化工股份有限公司 2022-03-11 CN disclosed
US-4855022-A Method for the impregnation of electrolytic capacitors with tetracyanoquinodimethane salts COMPAGNIE EUROPEENNE DE COMPOSANTS ELECTRONIQUES (FR) 1989-08-08 US disclosed
JP-S62198655-A CHARGE TRANSFER COMPLEX NICHICON CAPACITOR LTD 1987-09-02 JP disclosed
US-4679124-A TETRACYANOQUINODIMETHAN COMPLEX SALT MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1987-07-07 US disclosed
US-4061638-A Organocalciumpyridine-type polymerization initiators PHILLIPS PETROLEUM COMPANY (US) 1977-12-06 US disclosed
US-3961062-A Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3930837-A 3-CHLORO-5-ACETAMIDAISOQUINOLINE AS A HERBICIDE ICI AUSTRALIA LIMITED (AU) 1976-01-06 US disclosed