SCHEMBL27836734

SCHEMBL27836734

CCC(=O)OCC(C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.c1cc2cc-2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.54
MAPT P10636 8/20 0.52
HTT P42858 6/20 0.52
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27817389 0.97 THRB (0.63) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1647387 0.82 THRB (0.70) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1645318 0.76 THRB (1.00) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL27817221 0.75 THRB (0.72) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1645686 0.74 THRB (0.74) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL11195982 0.74 THRB (0.60) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1647382 0.73 L3MBTL1 (0.77) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL3891512 0.72 THRB (0.56) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1644582 0.72 THRB (0.64) THRBL3MBTL1MAPTHTTALDH1A1
SCHEMBL1646235 0.72 L3MBTL1 (0.78) THRBL3MBTL1MAPTHTTALDH1A1

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
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN claimed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed