SCHEMBL21397727

SCHEMBL21397727

CC(=O)c1ccc(N(c2ccc(C)cc2)c2ccccc2N=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 2/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 4/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
MAOB P27338 1/20 0.36
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL13320283 0.78 SMN1; SMN2 (0.52) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7044034 0.78 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13320281 0.74 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL15723253 0.74 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL1031002 0.74 ALDH1A1 (0.43) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL21397389 0.73 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL15725684 0.73 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18390948 0.73 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL21397724 0.71 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL29012584 0.71 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019181714-A1 COMPOUND WHICH INHIBITS TELOMERE-BINDING PROTEIN, AND TELOMERE-BINDING PROTEIN INHIBITOR CONTAINING SAME 国立大学法人広島大学 2019-09-26 WO disclosed