SCHEMBL4555967

SCHEMBL4555967

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)Cn3ccc4cc(F)ccc43)cc2)cc1OC.O=C(O)c1cnc2[nH]ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
PPARG P37231 3/20 0.39
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TNIK Q9UKE5 1/20 0.33
WNT3A P56704 1/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4555840 0.97 EPHX2 (0.41) EPHX2NR1H4PPARGALDH1A1HDAC3
SCHEMBL4555966 0.95 EPHX2 (0.39) EPHX2NR1H4PPARGALDH1A1HDAC3
SCHEMBL2820070 0.85 ALDH1A1 (0.48) EPHX2NR1H4PPARGALDH1A1HDAC3
SCHEMBL4556271 0.84 PKM (0.46) EPHX2NR1H4ALDH1A1HTTSYK
SCHEMBL4555841 0.82 PPARG (0.38) PPARGHDAC3HDAC1HDAC2HDAC10
SCHEMBL4556270 0.78 MEN1 (0.45) NR1H4ALDH1A1HTTSMN1; SMN2
SCHEMBL4556269 0.75 PLAU (0.47) NR1H4ALDH1A1AAK1TNIKKDM4E
SCHEMBL4438564 0.72 PKM (0.46) NR1H4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27796830 0.72 MAPT (0.46) NR1H4ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL4556044 0.71 NR1H4 (0.49) EPHX2NR1H4ALDH1A1KDM4EHPGD

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 claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed