SCHEMBL4448336

SCHEMBL4448336

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
NQO2 P16083 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 7/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.41
NR1H4 Q96RI1 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
SCHEMBL4448335 0.89 RAB9A (0.44) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816719 0.89 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816881 0.88 RAB9A (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816286 0.86 RAB9A (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2815613 0.80 NPC1 (0.57) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL4437668 0.80 NPC1 (0.45) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2814757 0.78 NPC1 (0.52) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2817574 0.78 NPC1 (0.54) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2816495 0.77 NPC1 (0.53) RAB9ANPC1NQO2CASP3SENP7
SCHEMBL2819873 0.77 NPC1 (0.53) 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