SCHEMBL2326792

SCHEMBL2326792

NC(=NO)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
PDE2A O00408 1/20 0.46
EPHX2 P34913 1/20 0.45
GRIN2B Q13224 4/20 0.41
KDM1A O60341 4/20 0.40
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2326788 1.00 RECQL (0.47) RECQLPDE2AEPHX2GRIN2BKDM1A
SCHEMBL16088880 0.87 RECQL (0.44) RECQLPDE2AEPHX2GRIN2BKDM1A
SCHEMBL2327740 0.83 GRIN2B (0.52) RECQLGRIN2B
SCHEMBL12185099 0.83 RECQL (0.50) RECQLPDE2AGRIN2BLMNARAB9A
SCHEMBL17738071 0.83 GRIN2B (0.52) RECQLGRIN2B
SCHEMBL2327736 0.83 GRIN2B (0.52) RECQLGRIN2B
SCHEMBL2690674 0.80 EPHX2 (0.55) PDE2AEPHX2LMNAMAPK1HTT
SCHEMBL2326651 0.80 RECQL (0.68) RECQLKDM1ALMNAMAPK1HTT
SCHEMBL13364205 0.80 PDE2A (0.48) PDE2AEPHX2GRIN2BLMNAMAPK1
SCHEMBL2326648 0.80 RECQL (0.68) RECQLKDM1ALMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed