SCHEMBL851330

SCHEMBL851330

ClC(Cl)=NC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.37
HTR2A P28223 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 1/20 0.35
PPIA P62937 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
GAA P10253 1/20 0.33
HTR2B P41595 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL70001 0.72 GPR3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL15182447 0.69 POLB (0.37) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL8458737 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL13185884 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL6550865 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL27804939 0.68 GPR3 (0.37) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL851332 0.67 HDAC3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL1215825 0.65 HDAC3 (0.57) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL68634 0.65 GPR3 (0.38) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL216862 0.64 MAOA (0.52) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486336-A2 CB1 LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2025-01-08 EP disclosed
WO-2024130218-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2024-06-20 WO disclosed
WO-2023168066-A9 OXIME-BASED HOT MELT ADHESIVES FOR REWORK, REPAIR AND RECYCLE CONAGEN INC. (US) 2024-06-20 WO disclosed
WO-2024119140-A1 CLEAVABLE COMONOMER STRATEGY FOR ACCELERATING REMOVAL OF GEL NAIL POLISH MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-06-06 WO disclosed
EP-4370503-A1 ESTERS OF A RETINOID AND BAKUCHIOL AND PREPARATIONS THEREOF Conagen Inc. (US) 2024-05-22 EP disclosed
EP-4367125-A1 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH Alnylam Pharmaceuticals, Inc. (US) 2024-05-15 EP disclosed
WO-2024097746-A1 ALKENE CYCLOPROPANATION WITH NICKEL CATALYST ENHANCER AND IMPROVED REARRANGEMENT REACTION CONAGEN INC. (US) 2024-05-10 WO disclosed
EP-4359380-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL) METHYL)BENZYL) AMINO)ISOINDOLINE-1,3-DIONE Celgene Corporation (US) 2024-05-01 EP disclosed
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed
WO-2023283434-A9 AMINOOXY CLICK CHEMISTRY (AOCC): A VERSATILE BIOCONJUGATION APPROACH ALNYLAM PHARMACEUTICALS, INC. (US) 2024-03-28 WO disclosed
WO-2014210564-A1 GLYCAN CONJUGATES AND USE THEREOF ACADEMIA SINICA (TW) 2014-12-31 WO disclosed
EP-2693879-A2 MIGRASTATINS AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2014-02-12 EP disclosed
EP-2550000-A1 REDUCED SIZE SELF-DELIVERING RNAI COMPOUNDS Rxi Pharmaceuticals Corporation (US) 2013-01-30 EP disclosed
WO-2012139074-A2 MIGRASTATINS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-10-11 WO disclosed
EP-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2011119852-A1 REDUCED SIZE SELF-DELIVERING RNAI COMPOUNDS RXI PHARMACEUTICALS CORPORATION (US) 2011-09-29 WO disclosed
EP-2331018-A1 ESOPHAGEAL VALVE Vysera Biomedical Limited (IE) 2011-06-15 EP disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
WO-2009153770-A1 ESOPHAGEAL VALVE VYSERA BIOMEDICAL LIMITED (IE) 2009-12-23 WO disclosed
WO-2008119015-A2 SYNTHESIS OF THIOHYDANTOINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-10-02 WO disclosed