SCHEMBL6234624

SCHEMBL6234624

CC1(C)CC(NC(=O)CBr)CC(C)(C)N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 3/20 0.49
RECQL P46063 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.47
EZH2 Q15910 1/20 0.44

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
SCHEMBL2901212 0.85 GAA (0.71) GAAHTTKMT2AKDM4EPOLB
SCHEMBL8771939 0.83 GAA (0.59) GAAHTTKMT2AKDM4EPOLB
SCHEMBL1583721 0.82 ALDH1A1 (0.44) GAAHTTKMT2AKDM4EPOLB
SCHEMBL1647940 0.81 GAA (0.67) GAAHTTKMT2AKDM4EPOLB
SCHEMBL29494819 0.81 GAA (0.58) GAAHTTKMT2AKDM4EPOLB
SCHEMBL28800695 0.81 GAA (0.58) GAAHTTKMT2AKDM4EPOLB
SCHEMBL9682135 0.81 GAA (0.58) GAAHTTKMT2AKDM4EPOLB
SCHEMBL10079252 0.81 GAA (0.58) GAAHTTKMT2AKDM4EPOLB
SCHEMBL4094277 0.80 GAA (0.65) GAAHTTKMT2AKDM4EPOLB
SCHEMBL9456922 0.80 GAA (0.65) GAAHTTKMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022264971-A1 METHOD FOR EVALUATING QUALITY OF SPERM 国立大学法人東海国立大学機構 2022-12-22 WO claimed
WO-2022251679-A1 NITROXIDE RADICALS FOR USE AS ANTIVIRAL TREATMENT FOR CORONAVIRUS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-12-01 WO claimed
WO-2022264971-A1 METHOD FOR EVALUATING QUALITY OF SPERM 国立大学法人東海国立大学機構 2022-12-22 WO disclosed
US-20220387407-A1 COMPOSITIONS AND METHODS FOR ATTENUATING OPIOID INDUCED CARDIO AND/OR RESPIRATORY DEPRESSION UNIV CASE WESTERN RESERVE (US) 2022-12-08 US disclosed
WO-2022251679-A1 NITROXIDE RADICALS FOR USE AS ANTIVIRAL TREATMENT FOR CORONAVIRUS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-12-01 WO disclosed
CN-115248199-A Low-toxicity fluorescent probe for detecting intracellular reduced Glutathione (GSH) and application thereof 长春理工大学 2022-10-28 CN disclosed
CN-102686827-A Free radical trapping agent in petroleum and natural gas stimulation operations ARKEMA INC 2012-09-19 CN disclosed
WO-2005003759-A1 A METHOD FOR ANALYSIS OF A BEVERAGE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-01-13 WO disclosed