SCHEMBL4556080

SCHEMBL4556080

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3c[nH]c4ncc(F)cc34)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.48
ALDH1A1 P00352 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
CLK1 P49759 3/20 0.44
DYRK1A Q13627 3/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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 0.88 AAK1 (0.47) AAK1ALDH1A1NR1H4CLK1DYRK1A
SCHEMBL4556079 0.84 AAK1 (0.53) AAK1ALDH1A1NR1H4CLK1DYRK1A
SCHEMBL4564334 0.83 ROCK2 (0.45) ALDH1A1NR1H4MAPTTP53SMN1; SMN2
SCHEMBL4555807 0.83 KMT2A (0.50) ALDH1A1NR1H4MAPTTP53SMN1; SMN2
SCHEMBL2818006 0.82 MEN1 (0.53) NR1H4MAPTMEN1KMT2APKM
SCHEMBL2814955 0.81 ALDH1A1 (0.65) ALDH1A1MAPTTP53SMN1; SMN2MEN1
SCHEMBL4563838 0.80 NR1H4 (0.45) ALDH1A1NR1H4MAPTTP53SMN1; SMN2
SCHEMBL4438562 0.78 KMT2A (0.45) ALDH1A1NR1H4MAPTTP53SMN1; SMN2
SCHEMBL4556270 0.78 MEN1 (0.45) ALDH1A1NR1H4MAPTTP53SMN1; SMN2
SCHEMBL2815122 0.78 KMT2A (0.57) ALDH1A1NR1H4MAPTTP53SMN1; SMN2

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