SCHEMBL4554528

SCHEMBL4554528

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cnc4ccccn34)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KIT P10721 1/20 0.45
DDR1 Q08345 1/20 0.45
DDR2 Q16832 1/20 0.45
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NAMPT P43490 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL4440155 0.92 MEN1 (0.46) MEN1KMT2AKITDDR1DDR2
SCHEMBL2816485 0.88 MAPT (0.44) MEN1KMT2AKITDDR1DDR2
SCHEMBL4554530 0.87 MEN1 (0.48) MEN1KMT2AKITDDR1DDR2
SCHEMBL4554526 0.83 MEN1 (0.49) MEN1KMT2ANPC1POLBMAPT
SCHEMBL2816819 0.81 MEN1 (0.63) MEN1KMT2ANPC1POLBMAPT
SCHEMBL2815122 0.79 KMT2A (0.57) MEN1KMT2ANPC1POLBMAPT
SCHEMBL4554813 0.78 NPC1 (0.51) MEN1KMT2ANPC1POLBMAPT
SCHEMBL2813712 0.78 KMT2A (0.67) MEN1KMT2ANPC1POLBMAPT
SCHEMBL2816590 0.78 LMNA (0.62) MEN1KMT2ANPC1POLBMAPT
SCHEMBL2815071 0.78 MEN1 (0.54) MEN1KMT2ANPC1MAPTRAB9A

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 4 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
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