SCHEMBL4555541

SCHEMBL4555541

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1cn2cccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 5/20 0.45
SYK P43405 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
THRB P10828 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
SCHEMBL4555539 0.90 MAPT (0.50) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL4555540 0.87 MAPT (0.50) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL2814428 0.80 KMT2A (0.60) MAPTTP53ALDH1A1POLBMEN1
SCHEMBL4448117 0.77 LMNA (0.46) MAPTTP53ALDH1A1KDM4EHTT
SCHEMBL4554530 0.76 MEN1 (0.48) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL4554814 0.74 MEN1 (0.50) MAPTTP53KDM4EHTTPOLB
SCHEMBL4556337 0.74 NPC1 (0.56) TP53ALDH1A1KDM4EPOLBMEN1
SCHEMBL4556271 0.74 PKM (0.46) MAPTTP53ALDH1A1KDM4EHTT
SCHEMBL14955540 0.74 POLB (0.53) MAPTTP53GAAALDH1A1KDM4E
SCHEMBL4446512 0.73 PKM (0.51) MAPTTP53ALDH1A1KDM4EPOLB

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