SCHEMBL4555962

SCHEMBL4555962

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(C)=O)c(Cl)c2)cc1OC.O=C(O)c1ccc2cn[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.63
MAOA P21397 1/20 0.50
MAP4K4 O95819 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
SRPK1 Q96SB4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DDR2 Q16832 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2815607 0.85 POLB (0.54) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4555964 0.81 MAOB (0.46) MAOBMAOAMAP4K4CLK2DYRK1A
SCHEMBL2818030 0.75 NTRK1 (0.52) MAOBKDM4ENPC1RAB9ALMNA
SCHEMBL2815379 0.75 POLB (0.54) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2817492 0.75 POLB (0.54) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL27796995 0.74 MAOB (0.60) MAOBMAOAMAP4K4CLK2DYRK1A
SCHEMBL2816711 0.73 NPC1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15764659 0.72 NPC1 (0.74) MAOBMAOAMAP4K4CLK2DYRK1A
SCHEMBL2820320 0.72 LMNA (0.57) NPC1RAB9ALMNAMEN1ALDH1A1
SCHEMBL15887019 0.72 MAOB (0.84) MAOBMAOAMAP4K4CLK2DYRK1A

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