SCHEMBL4555728

SCHEMBL4555728

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.55
NTRK1 P04629 1/20 0.54
NTRK2 Q16620 1/20 0.54
CDK2 P24941 2/20 0.53
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAC1 P63000 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCNA2 P20248 1/20 0.47
CCNA1 P78396 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL2819888 0.91 FLT3 (0.54) FLT3NTRK1NTRK2CDK2KDM4E
SCHEMBL2816744 0.90 ROCK1 (0.49) FLT3NTRK1CDK2NPC1ALDH1A1
SCHEMBL27796823 0.89 NTRK1 (0.62) FLT3NTRK1NTRK2CDK2KDM4E
SCHEMBL2815480 0.88 NTRK1 (0.53) FLT3NTRK1NTRK2CDK2KDM4E
SCHEMBL2818030 0.88 NTRK1 (0.52) FLT3NTRK1NTRK2CDK2KDM4E
SCHEMBL4555729 0.86 NTRK1 (0.52) FLT3NTRK1NTRK2CDK2RAC1
SCHEMBL2818006 0.83 MEN1 (0.53) NPC1L3MBTL1LMNAMEN1KMT2A
SCHEMBL2816819 0.83 MEN1 (0.63) KDM4ENPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4555727 0.82 FLT3 (0.52) FLT3NTRK1NTRK2CDK2KDM4E
SCHEMBL4556336 0.81 NPC1 (0.58) KDM4ENPC1ALDH1A1L3MBTL1SMN1; SMN2

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