SCHEMBL4556079

SCHEMBL4556079

COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1OC.O=C(O)c1c[nH]c2ncc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.53
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 2/20 0.43
KDR P35968 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL4556081 0.90 AAK1 (0.47) AAK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4556080 0.84 AAK1 (0.48) AAK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4555806 0.82 MEN1 (0.51) AAK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2814444 0.80 KMT2A (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4556269 0.79 PLAU (0.47) AAK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4438559 0.79 PKM (0.47) AAK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4556083 0.77 DHPS (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4555050 0.75 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4446446 0.74 PIN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4556042 0.74 ESR1 (0.49) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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