SCHEMBL3356233

SCHEMBL3356233

Cc1cccc([C]=O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.50
TSHR P16473 5/20 0.43
CYP3A4 P08684 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
HBB P68871 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL1379432 0.82 TSHR (0.60) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL29137850 0.77 CD44 (0.50) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL1312250 0.76 CYP3A4 (0.43) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL7346771 0.76 CD44 (0.42) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL49876 0.75
SCHEMBL1698298 0.74 TSHR (0.39) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL16776729 0.74 CD44 (0.72) CD44TSHRCYP3A4TDP1CYP1A2
SCHEMBL106244 0.74
SCHEMBL11416944 0.74 MYC (0.48) TSHRCYP3A4TDP1ALDH1A1MAPK1
Acetonitrile SCHEMBL21001777 0.73 CD44 (0.56) CD44TSHRCYP3A4TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523314-A1 CYCLIC DINUCLEOTIDES CONTAINING BENZIMIDAZOLE, METHOD FOR THE PRODUCTION OF SAME, AND USE OF SAME TO ACTIVATE STIMULATOR OF INTERFERON GENES (STING)-DEPENDENT SIGNALING PATHWAYS Biolog Life Science Institute Forschungslabor Und Biochemica-Vertrieb GmbH (DE) 2019-08-14 EP claimed
CN-106932367-B It is a kind of to detect the method to interact between Rab albumen and its effector based on fluorescence resonance energy transfer method 青岛农业大学 2019-07-19 CN claimed
EP-3481842-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES Mireca Medicines GmbH (DE) 2019-05-15 EP claimed
WO-2018041942-A9 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-01-17 WO claimed
WO-2018065360-A1 CYCLIC DINUCLEOTIDES CONTAINING BENZIMIDAZOLE, METHOD FOR THE PRODUCTION OF SAME, AND USE OF SAME TO ACTIVATE STIMULATOR OF INTERFERON GENES (STING)-DEPENDENT SIGNALING PATHWAYS BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2018-04-12 WO claimed
WO-2018010965-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2018-01-18 WO claimed
EP-2691403-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG Life Science Institute Forschungslabor Und Biochemica-Vertrieb GmbH (DE) 2014-02-05 EP claimed
WO-2012130829-A1 NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2012-10-04 WO claimed
EP-1494700-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS Cytovia, Inc. (US) 2005-01-12 EP claimed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO claimed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed
WO-2024040131-A1 PYRIDOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-02-22 WO disclosed
EP-4213999-A1 COMPOUNDS FOR USE IN SYSTEM SUITABILITY TESTING OF INERT LC SYSTEMS AND COLUMNS Waters Technologies Corporation (US) 2023-07-26 EP disclosed
WO-2023288316-A1 METHOD OF USE FOR APOE PEPTIDES ANJI PHARMA (US) LLC (US) 2023-01-19 WO disclosed
US-10745674-B2 Polyketide synthase variants and uses thereof SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-08-18 US disclosed
WO-2004034977-A2 ORALLY ADMINISTERED PEPTIDES SYNERGIZE STATIN ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-04-29 WO disclosed
EP-1047496-A1 THE PREPARATION OF NOVEL GELS FOR THE PURIFICATION OF NON-POLAR EXTRACTIVES Her Majesty in Right of Canada, represented by The Minister of Agriculture and Agri-Food Canada (CA) 2000-11-02 EP disclosed
WO-1999034916-A1 THE PREPARATION OF NOVEL GELS FOR THE PURIFICATION OF NON-POLAR EXTRACTIVES HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF AGRICULTURE AND AGRI-FOOD CANADA (CA) 1999-07-15 WO disclosed
US-5798210-A FLUOROPHORE-SUBSTITUTED CAPROIC ACID ESTER OF DEOXYRIBONUCLEOSIDE CLEAVABLE IN BASIC MEDIUM OR BY ACTION OF ENZYME INSTITUT PASTEUR (FR) 1998-08-25 US disclosed
US-5039797-A For reducing intraocular pressure in mammals YALE UNIVERSITY (US) 1991-08-13 US disclosed