SCHEMBL5646308

SCHEMBL5646308

CC(F)(c1cccc(-c2ccccc2)n1)c1cccc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 2/20 0.56
ASIC3 Q9UHC3 1/20 0.47
HSD17B10 Q99714 3/20 0.42
IDH1 O75874 3/20 0.42
IDH2 P48735 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
S1PR4 O95977 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.41
SDHB P21912 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3381636 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL7814795 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL11931991 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL1960761 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL10056535 0.79 MEN1 (0.65) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL14198199 0.77 MEN1 (0.50) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL25885404 0.76 MEN1 (0.54) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL23746886 0.74 MEN1 (0.47) MEN1KMT2ARAB9AASIC3HSD17B10
SCHEMBL15469175 0.74 MEN1 (0.47) MEN1KMT2ARAB9AASIC3KDM4E
SCHEMBL58442 0.73 MEN1 (1.00) MEN1KMT2ARAB9AASIC3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029539-B2 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
US-9029539-B2 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
US-9029539-B2 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2015-05-12 US disclosed
EP-1678190-B1 METAL COMPLEXES WITH BIPODAL LIGANDS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
EP-1678190-B1 METAL COMPLEXES WITH BIPODAL LIGANDS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
EP-1678190-A1 METAL COMPLEXES WITH BIPODAL LIGANDS Merck Patent GmbH (DE) 2006-07-12 EP disclosed
WO-2005042550-A1 METAL COMPLEXES WITH BIPODAL LIGANDS MERCK PATENT GMBH (DE) 2005-05-12 WO disclosed