SCHEMBL4556083

SCHEMBL4556083

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.53
NR1H4 Q96RI1 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CHEK1 O14757 1/20 0.48
PIM1 P11309 1/20 0.48
MAPK8 P45983 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 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
SCHEMBL4556085 0.90 DHPS (0.52) DHPSNR1H4PPARGPPARAMEN1
SCHEMBL4556042 0.83 ESR1 (0.49) NR1H4MEN1KMT2AALDH1A1POLB
SCHEMBL4556084 0.82 DHPS (0.56) DHPSNR1H4PPARGPPARAMEN1
SCHEMBL2814444 0.82 KMT2A (0.62) NR1H4MEN1KMT2AALDH1A1POLB
SCHEMBL4555806 0.81 MEN1 (0.51) NR1H4PPARGPPARAMEN1KMT2A
SCHEMBL4555727 0.79 FLT3 (0.52) NR1H4MEN1KMT2ACLK4ALDH1A1
SCHEMBL4446446 0.78 PIN1 (0.56) NR1H4PPARGPPARAMEN1KMT2A
SCHEMBL4556269 0.77 PLAU (0.47) NR1H4MEN1KMT2AALDH1A1POLB
SCHEMBL4556335 0.77 NPC1 (0.58) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL4556079 0.77 AAK1 (0.53) 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