SCHEMBL1117697

SCHEMBL1117697

O=C(O)C1=CC=CC=CN1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
Water SCHEMBL27533325 0.98 TP53 (0.31) TP53TSHRSIRT2SIRT1
Hydrogen Sulfide SCHEMBL27531910 0.98 TP53 (0.31) TP53TSHRSIRT2SIRT1
Dimethylamine SCHEMBL4541945 0.92 KDM4E (0.32)
SCHEMBL5755219 0.84
SCHEMBL27387808 0.83
SCHEMBL7963362 0.81
SCHEMBL7380301 0.80 HDAC1 (0.40)
SCHEMBL28791650 0.79
SCHEMBL1117797 0.79 POLB (0.31) TSHR
SCHEMBL11878406 0.79 CA12 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 EP claimed
CN-1980710-B Substituted azepine derivatives as serotonin receptor modulators ATHERSYS INC 2013-06-12 CN claimed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO claimed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP claimed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO claimed
US-6323195-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US claimed
EP-1020470-A2 Galanthamine derivatives, a process for their preparation and their use as medicaments SYNAPTECH, INC. (US) 2000-07-19 EP claimed
EP-0653427-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-05-17 EP claimed
EP-0592512-A1 NON-DESENSITIZING ANALOGS OF GnRH AND OTHER BIOLOGICALLY ACTIVE LIGANDS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (UTI) (CA) 1994-04-20 EP claimed
WO-1993003058-A2 NON-DESENSITIZING ANALOGS OF GnRH AND OTHER BIOLOGICALLY ACTIVE LIGANDS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1993-02-18 WO claimed
CN-1056878-A 2-substituted alkyl-3-carboxycarbapenems as antibiotics and process for their preparation AMERICAN CYANAMID CO (US) 1991-12-11 CN claimed
EP-0058341-B1 AZEPINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-05-15 EP claimed
EP-4525879-A2 SELECTIVE SIGMA-2 RECEPTOR LIGANDS AS MODULATORS OF TMEM97 Board of Regents, The University of Texas System (US) 2025-03-26 EP disclosed
US-12124198-B2 Image forming method and image forming apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2024-10-22 US disclosed
CN-118647605-A Mesoionic arylpyridazinium derivatives or salts thereof, pesticides containing the same and methods of use thereof 日本农药株式会社 2024-09-13 CN disclosed
WO-2024032561-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-02-15 WO disclosed
WO-1994025049-A1 AMIDINO AND GUANIDINO SUBSTITUTED BORONIC ACID INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-10 WO disclosed
EP-0356381-A1 Wetting agents for hydrophobic capillary materials, and their uses CIBA-GEIGY AG (CH) 1990-02-28 EP disclosed
EP-0058341-B1 AZEPINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-05-15 EP disclosed
EP-0058341-A1 Azepine derivatives, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-08-25 EP disclosed