SCHEMBL3407592

SCHEMBL3407592

O=C(OCc1ccccc1)c1c(=O)[nH]n2c(=O)c3c([nH]c12)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
KMT2A Q03164 10/20 0.44
MEN1 O00255 8/20 0.44
HPGD P15428 5/20 0.44
POLB P06746 5/20 0.44
HTT P42858 5/20 0.44
KDM4E B2RXH2 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
BLM P54132 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 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
SCHEMBL3411734 0.83 LMNA (0.58) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3408224 0.78 MAPT (0.50) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3410031 0.78 MAPT (0.52) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3411499 0.73 MAPT (0.47) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3411760 0.73 MAPT (0.59) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3411768 0.70 MAPT (0.46) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL3409245 0.66 MEN1 (0.50) MAPTTDP1L3MBTL1CSNK2A2CSNK2B
SCHEMBL14156316 0.65 PDE4D (0.58) MAPTTDP1L3MBTL1HPGDKDM4E
SCHEMBL3407318 0.65 ALDH1A1 (0.53) MAPTKMT2AMEN1HPGDKDM4E
Benzyl Carbamate SCHEMBL1882521 0.65 KDM4E (0.50) MAPTKMT2AMEN1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP claimed
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP disclosed