SCHEMBL4436314

SCHEMBL4436314

COc1cc(C(C)(C)C#N)ccc1NC(=O)c1ccc(OC)c(OC)c1.O=C(O)c1cncs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK8 P45983 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
PDE4D Q08499 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
RAB9A P51151 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
SCHEMBL2816814 0.87 MAPT (0.54) POLBKDM4EALDH1A1HPGDCHEK1
SCHEMBL2818082 0.80 MAPT (0.53) POLBKDM4EALDH1A1HPGDCHEK1
SCHEMBL2813976 0.78 PDE4D (0.60) POLBKDM4EALDH1A1HPGDCHEK1
SCHEMBL2869412 0.78 PDE5A (0.55) POLBKDM4EALDH1A1HPGDCHEK1
SCHEMBL2816013 0.74 MEN1 (0.60) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL23144868 0.73 DHODH (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4436319 0.73 L3MBTL1 (0.35) KMT2ACYP3A4CYP2C19
SCHEMBL2874235 0.72 PDE4D (0.60) POLBKDM4EALDH1A1CHEK1PIM1
SCHEMBL27796944 0.72 MEN1 (0.51) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL2816049 0.71 POLB (0.62) POLBALDH1A1KMT2AMEN1MAPT

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