SCHEMBL3785375

SCHEMBL3785375

CC(N)=Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 14/20 1.00
NOS3 P29474 11/20 1.00
NOS2 P35228 4/20 0.70
HTR3E A5X5Y0 2/20 0.67
HTR3B O95264 2/20 0.67
HTR3A P46098 2/20 0.67
HTR3D Q70Z44 2/20 0.67
HTR3C Q8WXA8 2/20 0.67
SLC22A2 O15244 1/20 0.67
SLC22A1 O15245 1/20 0.67
SLC22A3 O75751 1/20 0.67
PLAU P00749 1/20 0.67
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL7448212 1.00 NOS1 (1.00) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL6273560 1.00 NOS1 (1.00) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL165970 0.80 NOS1 (0.67) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL2348627 0.80 NOS1 (0.67) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL486925 0.80 NOS1 (0.67) NOS1NOS3NOS2HTR3EHTR3B
Phenylguanidine SCHEMBL467577 0.80 SLC22A2 (1.00) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL165971 0.80 NOS1 (0.67) NOS1NOS3NOS2HTR3EHTR3B
SCHEMBL28267587 0.79 NOS1 (0.64) NOS1NOS3NOS2HTR3EHTR3B
Phenylguanidine SCHEMBL4739913 0.78 SLC22A2 (0.94) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL6650679 0.78 NOS1 (0.64) NOS1NOS3NOS2HTR3EHTR3B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024027722-A1 AUXILIARY MASTERBATCH AND USE THEREOF 天津利安隆新材料股份有限公司 2024-02-08 WO claimed
CN-117402122-A Preparation method of sulfentrazone and triazolone-oxadiazon triazolinone intermediate 宁夏格瑞精细化工有限公司 2024-01-16 CN disclosed
CN-110627730-A Novel method for efficiently synthesizing 4-alkenyl quinazoline by C-H activation/cyclization reaction catalyzed by transition metal 四川大学 2019-12-31 CN disclosed
CN-102617487-B Multi-substituted pyrimidinones compounds as well as preparation method and application thereof UNIV BEIJING TECHNOLOGY 2014-04-02 CN disclosed
CN-102617487-A Multi-substituted pyrimidinones compounds as well as preparation method and application thereof UNIV BEIJING TECHNOLOGY 2012-08-01 CN disclosed
JP-2010248142-A 2-BENZYL-4-(4-ALKYLPHENYL)IMIDAZOLE COMPOUND SHIKOKU CHEM CORP 2010-11-04 JP disclosed
WO-2005115973-A1 BENZYLFORMAMIDINE COMPOUNDS AND PLASTIC PRODUCTS CONTAINING THE BENZYLFORMAMIDINE COMPOUNDS AS ULTRAVIOLET LIGHT ABSORBERS ZIKO LTD. (KR) 2005-12-08 WO disclosed
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP disclosed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP disclosed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO disclosed