SCHEMBL4556320

SCHEMBL4556320

COc1ccc2c(c1)c(C(=O)O)nn2CC(C)(CNC(=O)c1n[nH]c2ccccc12)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.46
CDK2 P24941 2/20 0.46
ROCK1 Q13464 4/20 0.44
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
RAC1 P63000 1/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 1/20 0.39
CDC7 O00311 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39

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
SCHEMBL4555728 0.80 FLT3 (0.55) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL2816746 0.80 NPC1 (0.45) ROCK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2816744 0.79 ROCK1 (0.49) FLT3CDK2ROCK1NTRK1SMN1; SMN2
SCHEMBL4555729 0.76 NTRK1 (0.52) FLT3CDK2ROCK1NTRK1NTRK2
SCHEMBL4555727 0.76 FLT3 (0.52) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL27796823 0.75 NTRK1 (0.62) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL2819888 0.74 FLT3 (0.54) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL2815480 0.73 NTRK1 (0.53) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL2818030 0.72 NTRK1 (0.52) FLT3CDK2NTRK1NTRK2SMN1; SMN2
SCHEMBL2819890 0.69 ROCK1 (0.46) ROCK1SMN1; SMN2NPC1L3MBTL1CASP3

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