SCHEMBL2014761

SCHEMBL2014761

CCOC(=O)C1=CC=CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 3/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL29092213 0.83 TSHR (0.46) MAPTTSHRALDH1A1ESR1CYP1A2
SCHEMBL2010358 0.79 CHRM3 (0.34) KDM4EMAPTTSHRALDH1A1CA12
SCHEMBL19071541 0.78 KMT2A (0.33) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4704938 0.76 KDM4E (0.40) KMT2AKDM4EMAPTMEN1ALOX15
SCHEMBL17244089 0.72
SCHEMBL8947546 0.72 TSHR (0.48) KMT2AKDM4EMAPTMEN1ALOX15
SCHEMBL28417053 0.72 TSHR (0.48) KMT2AKDM4EMAPTMEN1ALOX15
SCHEMBL7141933 0.71 CA1 (0.42) KMT2AKDM4EMAPTMEN1ALOX15
SCHEMBL11605886 0.70 TSHR (0.39) KMT2AKDM4EMAPTMEN1ALOX15
SCHEMBL21689051 0.70 KDM4E (0.43) KMT2AKDM4EMAPTMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP claimed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO claimed
EP-2670750-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE Fibrogen, Inc. (US) 2013-12-11 EP disclosed
CN-101970424-B Indolylpyridone derivatives with checkpoint kinase 1 inhibitory activity VERNALIS R&D LTD 2013-06-12 CN disclosed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
WO-2012106472-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2012-08-09 WO disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
CN-101970424-A Indolylpyridone derivatives with checkpoint kinase 1 inhibitory activity VERNALIS R&D LTD 2011-02-09 CN disclosed
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed