SCHEMBL21397724

SCHEMBL21397724

CC(=O)c1ccc(N(c2ccccc2)c2ccccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1I2 O75469 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
HSD17B1 P14061 2/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL21397389 0.97 MAPT (0.46) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL22914740 0.88 LMNA (0.46) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL21397726 0.86 NR1H4 (0.43) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL21397725 0.86 NPC1 (0.46) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL29895062 0.84 MAPT (0.59) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL7050772 0.84 MAPT (0.59) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL29012584 0.83 MAPT (0.47) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL184114 0.82 ALDH1A1 (0.43) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL21397390 0.80 CYP2D6 (0.47) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL21397661 0.79 CYP2C19 (0.40) MAPTSMN1; SMN2RAB9ANPC1HPGD

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