SCHEMBL187133

SCHEMBL187133

O=C(O)Oc1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.54
BCAT2 O15382 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
TBXA2R P21731 3/20 0.33
TBXAS1 P24557 2/20 0.33
ALDH1A1 P00352 2/20 0.32
APP P05067 1/20 0.32
GAA P10253 1/20 0.32
HCAR3 P49019 1/20 0.32
ATM Q13315 1/20 0.32
VNN1 O95497 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
DDO Q99489 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
Pyrrole SCHEMBL5264307 0.86 HCAR2 (0.42) HCAR2BCAT2MEN1KMT2AHSD17B10
SCHEMBL1921878 0.83 LMNA (0.46) HCAR2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL28029118 0.81 LMNA (0.45) HCAR2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL686904 0.80 KMT2A (0.40) MEN1KMT2AHSD17B10HTTGFER
Methylamine SCHEMBL27659540 0.79 LMNA (0.43) HCAR2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9978366 0.78 MEN1 (0.46) HCAR2BCAT2MEN1KMT2AKDM4E
SCHEMBL21585661 0.75 HCAR2 (0.43) HCAR2KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL25220465 0.74 KMT2A (0.53) HCAR2BCAT2MEN1KMT2AHSD17B10
SCHEMBL7020112 0.73 ALDH1A1 (0.33) HCAR2HSD17B10ALDH1A1KDM4E
SCHEMBL185449 0.73 ALDH1A1 (0.33) HCAR2HSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed
EP-0142040-A2 Substituted pyrimidines BAYER AG (DE) 1985-05-22 EP claimed
EP-2847190-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-03-18 EP disclosed
WO-2013167495-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-14 WO disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010057899-A1 CYCLOALKYL AMINO CARBONYL DERIVATIVES AS BRADYKININ-B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 WO disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed
EP-2018386-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
EP-0732325-A1 Process for the preparation of 5 or 6-membered, nitrogen-containing heterocyclic aldehydes BASF Aktiengesellschaft (DE) 1996-09-18 EP disclosed
EP-0569912-A1 4-alkyl-substituted pyrimidine-5-carboxanilides, process for their preparation, compositions containing them and their use as fungicides Hoechst Schering AgrEvo GmbH (DE) 1993-11-18 EP disclosed
EP-0320775-A2 Substituted pyrimidines BAYER AG (DE) 1989-06-21 EP disclosed
EP-0142040-A2 Substituted pyrimidines BAYER AG (DE) 1985-05-22 EP disclosed