SCHEMBL4448335

SCHEMBL4448335

COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(Br)c2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)c(C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 4/20 0.43
MAPK14 Q16539 2/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 3/20 0.42
PTGS2 P35354 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL2816719 0.91 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL4448336 0.89 RAB9A (0.43) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816286 0.87 RAB9A (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2819798 0.87 RAB9A (0.56) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2815613 0.81 NPC1 (0.57) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2817574 0.79 NPC1 (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2814430 0.78 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2817852 0.78 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2819873 0.78 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2817390 0.78 POLB (0.51) RAB9ANPC1NQO2CASP3SENP7

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