SCHEMBL2238641

SCHEMBL2238641

CCN(CC)c1cccc2oc(=O)c(-c3ccc(N=C=S)cc3)c(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EP300 Q09472 1/20 0.37
MAOB P27338 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGR P06401 3/20 0.32
ADORA2B P29275 2/20 0.32
NPC1 O15118 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
RAB9A P51151 2/20 0.31
STAT1 P42224 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK2 P24941 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL27177909 0.81 KDM4E (0.35) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL29351705 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL37694 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1518273 0.77 EP300 (0.62) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2578895 0.77 MAOB (0.49) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL7151872 0.76 KDM4E (0.33) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
Ethylene SCHEMBL28055534 0.76 ALDH1A1 (0.67) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL18335524 0.76 KDM4E (0.37) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
Acetic Acid SCHEMBL723858 0.68 ALDH1A1 (0.57) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28649238 0.67 ALDH1A1 (0.71) KDM4EALDH1A1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240102991-A1 Synthetic Fluorescent Protein Biosensors and Use Thereof in Drug Screening Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-28 US disclosed
US-20210181181-A1 Synthetic Fluorescent Protein Biosensors and Use Thereof in Drug Screening Methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-06-17 US disclosed
US-20200055896-A1 SUBSTRATES RECOGNIZED BY FIBROBLAST ACTIVATION PROTEIN (FAP) AND METHODS OF USING THE SAME GENENTECH, INC. 2020-02-20 US disclosed
EP-3606939-A1 SUBSTRATES RECOGNIZED BY FIBROBLAST ACTIVATION PROTEIN (FAP) AND METHODS OF USING THE SAME H. Hoffnabb-La Roche Ag (CH) 2020-02-12 EP disclosed
EP-3541960-A2 METHODS AND DEVICES FOR DETECTING HEPATITIS C VIRUS Quest Diagnostics Investments LLC (US) 2019-09-25 EP disclosed
WO-2019118837-A1 SYNTHETIC FLUORESCENT PROTEIN BIOSENSORS AND USE THEREOF IN DRUG SCREENING METHODS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-06-20 WO disclosed
WO-2018187418-A1 SUBSTRATES RECOGNIZED BY FIBROBLAST ACTIVATION PROTEIN (FAP) AND METHODS OF USING THE SAME GENENTECH, INC. (US) 2018-10-11 WO disclosed
WO-2017182834-A1 NEW METHOD FOR TREATING RESISTANT GLIOBLASTOMA INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-10-26 WO disclosed
US-20160356776-A1 Methods and Compositions for Detecting Botulinum Neurotoxin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-08 US disclosed
US-20150253326-A1 Methods and Compositions for Detecting Botulinum Neurotoxin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-8999649-B2 Method and compositions for detecting botulinum neurotoxin WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-04-07 US disclosed
EP-2718467-A2 METHODS OF IDENTIFYING AN ORGANISM Opgen, Inc. (US) 2014-04-16 EP disclosed
WO-2013016420-A1 METHODS OF IDENTIFYING AN ORGANISM OPGEN, INC. (US) 2013-01-31 WO disclosed
EP-2536852-A2 METHODS FOR DETECTING FETAL NUCLEIC ACIDS AND DIAGNOSING FETAL ABNORMALITIES Sequenom, Inc. (US) 2012-12-26 EP disclosed
WO-2012173866-A2 METHODS OF IDENTIFYING AN ORGANISM OPGEN, INC. (US) 2012-12-20 WO disclosed
US-20120220490-A1 METHOD AND COMPOSITIONS FOR DETECTING BOTULINUM NEUROTOXIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-08-30 US disclosed
WO-2011102998-A2 METHODS FOR DETECTING FETAL NUCLEIC ACIDS AND DIAGNOSING FETAL ABNORMALITIES HELICOS BIOSCIENCES CORPORATION (US) 2011-08-25 WO disclosed
WO-2009085733-A1 MULTIPLEX DETECTION ASSAY FOR INFLUENZA AND RSV VIRUSES QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2009-07-09 WO disclosed
WO-2007133189-A2 METHODS AND AGENTS FOR DETECTING PARECHOVIRUS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES,CENTERS FOR DISEASE CONTROL AND PREVENTION (US) 2007-11-22 WO disclosed