SCHEMBL4555841

SCHEMBL4555841

COc1ccc(N(C(=O)c2cnc3[nH]ccc3c2)c2ccc(C(C)(C)CNC(=O)Cn3ccc4cc(F)ccc43)cc2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRIN2B Q13224 2/20 0.33
AR P10275 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TP53 P04637 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
POLB P06746 1/20 0.31

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 0.84 EPHX2 (0.41) PPARGHDAC3HDAC1HDAC2HDAC10
SCHEMBL4555966 0.81 EPHX2 (0.39) PPARGHDAC3HDAC1HDAC2HDAC10
SCHEMBL2820070 0.75 ALDH1A1 (0.48) PPARGHDAC3HDAC1HDAC2HDAC10
SCHEMBL4556270 0.67 MEN1 (0.45) SMN1; SMN2TP53
SCHEMBL24479851 0.62 PPARG (0.56) PPARGSMN1; SMN2TP53
SCHEMBL27796830 0.61 MAPT (0.46) SMN1; SMN2TP53POLB
SCHEMBL3349836 0.61 CYP1A2 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4556271 0.60 PKM (0.46) SMN1; SMN2TP53POLB
SCHEMBL25120829 0.59 KDR (0.37) AR
SCHEMBL24479857 0.58 HPGD (0.59) TP53POLB

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