SCHEMBL4556085

SCHEMBL4556085

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1cccc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.52
NR1H4 Q96RI1 3/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL4556083 0.90 DHPS (0.53) DHPSNR1H4PPARGPPARAMEN1
SCHEMBL4556084 0.86 DHPS (0.56) DHPSNR1H4PPARGPPARAMEN1
SCHEMBL4556044 0.83 NR1H4 (0.49) NR1H4MEN1KMT2APKMALDH1A1
SCHEMBL2814428 0.82 KMT2A (0.60) NR1H4MEN1KMT2APKMALDH1A1
SCHEMBL4555809 0.82 MEN1 (0.49) NR1H4PPARGPPARAMEN1KMT2A
SCHEMBL4555729 0.80 NTRK1 (0.52) NR1H4MEN1KMT2ACHEK1MAPK8
SCHEMBL4446449 0.79 PIN1 (0.54) NR1H4PPARGPPARAMEN1KMT2A
SCHEMBL4556271 0.78 PKM (0.46) NR1H4MEN1KMT2APKMALDH1A1
SCHEMBL4556337 0.78 NPC1 (0.56) NR1H4MEN1KMT2APKMALDH1A1
SCHEMBL4556081 0.78 AAK1 (0.47) NR1H4PPARGPPARAMEN1KMT2A

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