SCHEMBL6485740

SCHEMBL6485740

CCCN(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
TP53 P04637 2/20 0.42
AOC3 Q16853 4/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38

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
Hydrochloric Acid SCHEMBL28200131 0.98 ESR1 (0.42) ESR1TP53AOC3ALDH1A1KDM4E
SCHEMBL449304 0.86 ESR1 (0.46) ESR1TP53AOC3MAPTTDP1
SCHEMBL9717180 0.85 AOC3 (0.43) AOC3ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL253120 0.85 NPC1 (0.47) ESR1TP53AOC3TDP1CHRM2
Hydrochloric Acid SCHEMBL4056298 0.85 ESR1 (0.45) ESR1TP53AOC3TDP1CHRM2
SCHEMBL6477185 0.83 NPC1 (0.50) ESR1AOC3OPRM1DRD3KCNH2
SCHEMBL6477702 0.83 NPC1 (0.50) ESR1AOC3OPRM1DRD3KCNH2
SCHEMBL6488829 0.83 NPC1 (0.50) ESR1AOC3OPRM1DRD3KCNH2
SCHEMBL6487469 0.83 NPC1 (0.50) ESR1AOC3OPRM1DRD3KCNH2
SCHEMBL6484775 0.83 NPC1 (0.50) ESR1AOC3OPRM1DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349656-B Preparation method of hydrazide compound 赣南师范大学 2024-03-29 CN claimed
CN-116003336-B 1,2, 4-Triazole-3-amine compound, and preparation method and application thereof 赣南师范大学 2024-11-05 CN disclosed
CN-114349656-B Preparation method of hydrazide compound 赣南师范大学 2024-03-29 CN disclosed
CN-116003336-A 1,2, 4-triazole-3-amine compound, and preparation method and application thereof 赣南师范大学 2023-04-25 CN disclosed
CN-114349656-A Preparation method of hydrazide compound 赣南师范大学 2022-04-15 CN disclosed
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed
CN-103958536-A Organic tungsten complexes VANDERBILT CHEMICALS LLC 2014-07-30 CN disclosed
CN-101657461-B Organic tungsten complexes VANDERBILT CO R T 2013-07-17 CN disclosed
CN-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
CN-101657461-A organic tungsten complexes VANDERBILT CO R T US 2010-02-24 CN disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO disclosed
CN-1213379-A Peptide derivatives ZENECA LTD (GB) 1999-04-07 CN disclosed
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 US disclosed
EP-0034285-B1 PROCESS FOR THE PREPARATION OF 1-ALKYL-1-PHENYL HYDRAZINES HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-06 EP disclosed
EP-0034285-A2 Process for the preparation of 1-alkyl-1-phenyl hydrazines HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-26 EP disclosed
US-4258059-A Amino-benzamides USV PHARMACEUTICAL CORPORATION (US) 1981-03-24 US disclosed
US-3987234-A ACRYLIC ESTER POLYMERS HENKEL & CIE G.M.B.H. (DT) 1976-10-19 US disclosed
US-3984437-A CATIONIC DIAZAMETHINE; SYNTHETIC FIBERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-10-05 US disclosed