SCHEMBL4437658

SCHEMBL4437658

COc1ccc(C(=O)NC2(Cl)C=CC(C(C)(C)C#N)=C(c3ccccc3)C2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3ccccc3Cl)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PDE4D Q08499 3/20 0.38
F10 P00742 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NQO2 P16083 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK14 Q16539 1/20 0.37
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4A P27815 2/20 0.35

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
SCHEMBL2816705 0.84 MAPT (0.57) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2813529 0.78 MAPT (0.57) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2816051 0.74 POLB (0.50) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2815294 0.73 MAPT (0.50) MAPTPOLBKMT2AMEN1F10
SCHEMBL2817852 0.73 NPC1 (0.53) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2814650 0.71 LMNA (0.60) MAPTPOLBKMT2AMEN1NPC1
SCHEMBL2817939 0.71 MAPT (0.56) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2818037 0.71 ABL1 (0.54) MAPTPOLBKMT2AMEN1PDE4D
SCHEMBL2814683 0.71 NPC1 (0.58) MAPTPOLBKMT2AMEN1NPC1
SCHEMBL2817390 0.71 POLB (0.51) MAPTPOLBKMT2AMEN1NPC1

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 disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed