SCHEMBL4975113

SCHEMBL4975113

COCC(C)Nc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 3/20 0.45
SCN4A P35499 7/20 0.39
LMNA P02545 2/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNK2 O95069 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL6882581 1.00 KDM4E (0.45) KDM4EALDH1A1CYP2D6SCN4ALMNA
SCHEMBL8012133 1.00 KDM4E (0.45) KDM4EALDH1A1CYP2D6SCN4ALMNA
SCHEMBL3466659 0.87 KDM4E (0.49) KDM4EALDH1A1CYP2D6HCAR3HPGD
SCHEMBL3466658 0.87 KDM4E (0.49) KDM4EALDH1A1CYP2D6HCAR3HPGD
SCHEMBL30776762 0.87 KDM4E (0.49) KDM4EALDH1A1CYP2D6HCAR3HPGD
SCHEMBL5794071 0.87 KDM4E (0.49) KDM4EALDH1A1CYP2D6HCAR3HPGD
SCHEMBL9058079 0.82 KDM4E (0.42) KDM4EALDH1A1CYP2D6LMNACYP1A2
SCHEMBL11571832 0.81 NLRP3 (0.38) ALDH1A1CYP2D6SCN4ALMNASCN1A
SCHEMBL13626615 0.79 KDM4E (0.48) KDM4EALDH1A1CYP2D6HCAR3ATM
SCHEMBL11227410 0.78 MEN1 (0.44) KDM4EALDH1A1CYP2D6SCN5AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237844-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES Celgro (US) 2002-09-11 EP claimed
WO-2001044162-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES CELGRO (US) 2001-06-21 WO claimed
US-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 US claimed
CN-111285770-B Asymmetric reductive amination method based on fructose-derived chiral monodentate phosphite ligand ketone 中国科学院大连化学物理研究所 2023-06-09 CN disclosed
CN-111285775-B Method for applying fructose-derived pyridine alcohol chiral ligand to asymmetric reductive amination of ketone 中国科学院大连化学物理研究所 2023-06-09 CN disclosed
CN-110551033-B Method for preparing chiral amine through asymmetric reductive amination of ketone 中国科学院大连化学物理研究所 2022-04-12 CN disclosed
CN-110551032-B Asymmetric reductive amination method for catalyzing ketone by iridium chiral phosphine-aminophosphine ligand system 中国科学院大连化学物理研究所 2021-11-09 CN disclosed
CN-110551034-B Asymmetric reductive amination method of ketone 中国科学院大连化学物理研究所 2021-11-09 CN disclosed
CN-111285773-A Method for preparing chiral amine based on glucose-derived monodentate phosphite ligand asymmetric hydrogenation 中国科学院大连化学物理研究所 2020-06-16 CN disclosed
CN-111285775-A Method for applying fructose-derived pyridinol chiral ligand to asymmetric reductive amination of ketone 中国科学院大连化学物理研究所 2020-06-16 CN disclosed
CN-111285770-A Asymmetric reductive amination method based on fructose derived chiral monodentate phosphite ligand ketone 中国科学院大连化学物理研究所 2020-06-16 CN disclosed
US-5371256-A With rhodium and iridium CIBA-GEIGY CORPORATION (US) 1994-12-06 US disclosed
EP-0564406-A1 Ferrocenyldiphosphine as ligands for homogeneous catalysts CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed
US-5112999-A With diphosphines and diphosphinites, catalysts for hydrogenation of imines to secondary amines CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
EP-0419409-A2 Iridium complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4264520-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
US-4219493-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4151295-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1979-04-24 US disclosed
US-4019894-A 2-CHLORO-2',6'-DIMETHYL-N-(1-METHOXYPROP-2-YL)ACETANILIDE; HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-04-26 US disclosed
US-3952056-A 2-CHLORO-2',6'-DIMETHYL-N-(1-METHOXYPROP-2-YL)-ACETANILIDE CIBA-GEIGY CORPORATION (US) 1976-04-20 US disclosed