SCHEMBL4555540

SCHEMBL4555540

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cn4cccnc4n3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TP53 P04637 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GLA P06280 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 5/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKB Q96GD4 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.43

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
SCHEMBL4555541 0.87 MAPT (0.49) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL4555539 0.84 MAPT (0.50) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL2813712 0.78 KMT2A (0.67) MAPTTP53ALDH1A1HTTLMNA
SCHEMBL2816819 0.78 MEN1 (0.63) MAPTTP53ALDH1A1KDM4EPOLB
SCHEMBL4448114 0.77 LMNA (0.48) MAPTTP53ALDH1A1HTTLMNA
SCHEMBL2816590 0.76 LMNA (0.62) MAPTGAAALDH1A1LMNAPOLB
SCHEMBL2815071 0.76 MEN1 (0.54) MAPTTP53ALDH1A1KDM4ENPC1
SCHEMBL2815527 0.76 MEN1 (0.56) MAPTTP53ALDH1A1POLBNPC1
SCHEMBL2819556 0.76 MEN1 (0.56) MAPTTP53ALDH1A1KDM4EPOLB
SCHEMBL2815122 0.76 KMT2A (0.57) MAPTTP53ALDH1A1KDM4EHTT

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