SCHEMBL4440458

SCHEMBL4440458

COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3cccs3)c2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NQO2 P16083 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
SCHEMBL2816886 0.91 MAPT (0.59) MAPTL3MBTL1RXFP1HDAC1HDAC2
SCHEMBL4440455 0.91 MAPT (0.53) MAPTL3MBTL1RXFP1HDAC1HDAC2
SCHEMBL4437668 0.83 NPC1 (0.45) MAPTTP53KMT2AMEN1KDM4E
SCHEMBL4556216 0.79 MAPT (0.45) MAPTL3MBTL1RXFP1KMT2AMEN1
SCHEMBL2814428 0.79 KMT2A (0.60) MAPTTP53KMT2AMEN1POLB
SCHEMBL2817530 0.77 MCHR1 (0.50) MAPTL3MBTL1TP53KMT2AMEN1
SCHEMBL2813529 0.77 MAPT (0.57) MAPTL3MBTL1TP53KMT2AMEN1
SCHEMBL2818888 0.76 MAPT (0.48) MAPTL3MBTL1HDAC1HDAC2TP53
SCHEMBL2817842 0.75 MEN1 (0.58) MAPTL3MBTL1TP53KMT2AMEN1
SCHEMBL2815613 0.75 NPC1 (0.57) MAPTL3MBTL1TP53KMT2AMEN1

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-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed