SCHEMBL674112

SCHEMBL674112

Nc1cncc(OC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
DDO Q99489 1/20 0.52
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27452535 0.86 LMNA (0.46) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL686904 0.85 KMT2A (0.40) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL22556883 0.78 KMT2A (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL28347900 0.77 SIRT2 (0.53) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL1552646 0.76 CYP19A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7759797 0.76 CYP19A1 (0.39) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL486311 0.76 MAPT (0.55) KMT2A
SCHEMBL9649335 0.76 HCAR2 (0.52)
SCHEMBL5674900 0.76 POLB (0.52) HTT
SCHEMBL10529454 0.72 MKNK1 (0.51) MEN1KMT2AHTTGFERHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
EP-2606042-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed