SCHEMBL2669949

SCHEMBL2669949

Cc1c(C(COc2ccccc2)Nc2ccc(C(=O)NCCC=O)cc2)oc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
LMNA P02545 7/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
HDAC3 O15379 2/20 0.37

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
SCHEMBL719021 0.90 GCG (0.43) ADRB2ADRB1ADRB3LMNAL3MBTL1
SCHEMBL718011 0.87 MAPT (0.42) ADRB2ADRB1ADRB3LMNAL3MBTL1
SCHEMBL720711 0.86 CA12 (0.49) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL719499 0.84 MAPT (0.45) ADRB2ADRB1ADRB3LMNAL3MBTL1
SCHEMBL721127 0.79 RAB9A (0.39) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL720851 0.76 GCG (0.54) NPC1RAB9A
SCHEMBL3407767 0.76 LMNA (0.45) LMNAL3MBTL1HTTKDM4EMAPT
SCHEMBL719600 0.75 MAPT (0.38) LMNAL3MBTL1HTTMAPTTDP1
SCHEMBL2669825 0.75 NPC1 (0.46) LMNAL3MBTL1KDM4EMAPTGAA
SCHEMBL716401 0.74 GCG (0.37) LMNAL3MBTL1HTTMAPTTDP1

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed