SCHEMBL6289830

SCHEMBL6289830

CN(C)Pc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KCNN4 O15554 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
AOC3 Q16853 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28246803 0.97 TSHR (0.35) TSHRALDH1A1KCNN4MEN1HTT
Biphenyl SCHEMBL27328558 0.92 ALDH1A1 (0.45) ALDH1A1TDP1TAAR1MAPK1HSD17B10
SCHEMBL3965678 0.73 TSHR (0.32) TSHRALDH1A1KCNN4MEN1HTT
SCHEMBL15435771 0.72 TSHR (0.33) TSHRALDH1A1AOC3GLALMNA
Trimethylammonium SCHEMBL27527350 0.71 ALDH1A1 (0.36) TSHRALDH1A1KCNN4MEN1HTT
SCHEMBL30679174 0.70 MEN1 (0.35) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL11661389 0.70 TP53 (0.36) TSHRALDH1A1HTR2AHRH1AOC3
SCHEMBL23793535 0.69 TSHR (0.44) TSHRALDH1A1HTTTDP1CA12
SCHEMBL11707457 0.69 ALDH1A1 (0.35) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL18261173 0.67 ALDH1A1 (0.33) ALDH1A1MEN1HTTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1117727-C Process for the hydrogenation of imines SINGENTA PARICIPATION AG (CH) 2003-08-13 CN claimed
CN-1139930-A Hydrogenation catalyst, process for the preparation thereof and hydrogenation process CIBA GEIGY AG (CH) 1997-01-08 CN claimed
CN-118290630-A Homo-polymerization and copolymerization reaction of acrylic esters and polar olefins participated by diamino or monoaminophosphine 青岛大学 2024-07-05 CN disclosed
CN-110016055-B Organic electroluminescent device and polycyclic compound for organic electroluminescent device 三星显示有限公司 2024-02-23 CN disclosed
CN-110016055-A Organnic electroluminescent device and polycyclic compound for Organnic electroluminescent device 三星显示有限公司 2019-07-16 CN disclosed
CN-108659054-A A kind of preparation method of dichloro di-t-butyl -4- dimethylaminophenyl phosphine palladiums 陕西瑞科新材料股份有限公司 2018-10-16 CN disclosed
CN-107787322-A Tricyclic compound and their purposes as phosphodiesterase inhibitors 辉瑞大药厂 2018-03-09 CN disclosed
CN-107573498-A End has the polyoxyethylene deriv of multiple hydroxyls 日油株式会社 2018-01-12 CN disclosed
CN-105237568-B The preparation method of the dimethylamino phenyl phosphine of di-t-butyl 4 and double (the dimethylamino phenyl phosphine of di-t-butyl 4) palladium bichlorides 盘锦格林凯默科技有限公司 2017-06-20 CN disclosed
CN-105237568-B The preparation method of the dimethylamino phenyl phosphine of di-t-butyl 4 and double (the dimethylamino phenyl phosphine of di-t-butyl 4) palladium bichlorides 盘锦格林凯默科技有限公司 2017-06-20 CN disclosed
CN-105237568-B The preparation method of the dimethylamino phenyl phosphine of di-t-butyl 4 and double (the dimethylamino phenyl phosphine of di-t-butyl 4) palladium bichlorides 盘锦格林凯默科技有限公司 2017-06-20 CN disclosed
EP-0666255-B1 Process for the preparation of vitamin A and intermediates RHONE POULENC NUTRITION ANIMAL (FR) 1997-10-22 EP disclosed
US-5637779-A CONDENSATING ETHYNYL-B-IONOL WITH AN ACETAL IN PRESENCE OF A COPPER CATALYST AND A BASE; HYDROGENATING; FORMING RETINOL;REDUCTION RHONE-POULENC NUTRITION ANIMALE (FR) 1997-06-10 US disclosed
WO-1997014668-A1 OXIDATION OF ALDEHYDES TO CARBOXYLIC ACIDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-24 WO disclosed
CN-1139930-A Hydrogenation catalyst, process for the preparation thereof and hydrogenation process CIBA GEIGY AG (CH) 1997-01-08 CN disclosed
EP-0666255-A1 Process for the preparation of vitamin A and intermediates RHONE-POULENC NUTRITION ANIMALE (FR) 1995-08-09 EP disclosed
EP-0136210-B1 CHIRAL PHOSPHORUS LIGANDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE CATALYSIS OF ENANTIOSELECTIVE SYNTHESIS REACTIONS NORSOLOR S.A. (FR) 1989-08-16 EP disclosed
EP-0136210-A1 Chiral phosphorus ligands, process for their preparation and their use in the catalysis of enantioselective synthesis reactions NORSOLOR S.A. (FR) 1985-04-03 EP disclosed
US-4469886-A PALLADIUM CATALYST HAVING PHOSPHOAMINE LIGAND THE STANDARD OIL COMPANY (US) 1984-09-04 US disclosed
EP-0052419-A1 Process for the selective hydrocarboxylation of propylene to isobutyric acid THE STANDARD OIL COMPANY (US) 1982-05-26 EP disclosed