SCHEMBL4591366

SCHEMBL4591366

Cc1c(CO)nc(Nc2ccc(F)cc2)nc1N1CCc2ccccc2C1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.37
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
DHFR P00374 1/20 0.33
TRPM8 Q7Z2W7 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
Hydrochloric Acid SCHEMBL6968110 0.99 KCNH3 (0.39) KCNH3MEN1BLMKMT2AKDM4E
SCHEMBL7832119 0.91 MEN1 (0.37) KCNH3MEN1BLMKMT2AKDM4E
SCHEMBL7000651 0.91 MEN1 (0.37) KCNH3MEN1BLMKMT2AKDM4E
Hydrochloric Acid SCHEMBL6956801 0.91 ADRA2A (0.38) KCNH3MEN1KMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL6991716 0.91 KDM4E (0.38) KCNH3MEN1BLMKMT2AKDM4E
Hydrochloric Acid SCHEMBL6159015 0.91 KDM4E (0.38) KCNH3MEN1BLMKMT2AKDM4E
Hydrochloric Acid SCHEMBL6965281 0.90 KCNH3 (0.40) KCNH3MEN1BLMKMT2AKDM4E
SCHEMBL4591192 0.88 ESR1 (0.39) KCNH3MEN1BLMKMT2ALMNA
Hydrochloric Acid SCHEMBL6968548 0.87 ESR1 (0.39) KCNH3MEN1BLMKMT2AKDM4E
Revaprazan SCHEMBL6993033 0.87 MEN1 (0.40) KCNH3MEN1BLMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 EP claimed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US claimed
EP-1131312-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2005-10-26 EP disclosed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6545008-B1 Inhibitory activity against gastric acid secretion YUHAN CORPORATION (KR) 2003-04-08 US disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed