SCHEMBL4555809

SCHEMBL4555809

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1c[nH]c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.43
NAMPT P43490 1/20 0.43
NPC1 O15118 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
CPT1B Q92523 2/20 0.42
HPSE Q9Y251 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4555806 0.90 MEN1 (0.51) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL4555807 0.88 KMT2A (0.50) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL4556081 0.83 AAK1 (0.47) MEN1KMT2APKMALDH1A1NR1H4
SCHEMBL4556085 0.82 DHPS (0.52) MEN1KMT2APKMALDH1A1POLB
SCHEMBL4556124 0.82 CPT1A (0.44) MEN1KMT2APKMALDH1A1POLB
SCHEMBL2814428 0.81 KMT2A (0.60) MEN1KMT2APKMALDH1A1POLB
SCHEMBL4556122 0.80 CPT1A (0.44) MEN1KMT2APKMALDH1A1POLB
SCHEMBL4439131 0.79 HPSE (0.49) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL4439125 0.77 HPSE (0.49) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL4556044 0.77 NR1H4 (0.49) MEN1KMT2APKMALDH1A1POLB

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