SCHEMBL3886359

SCHEMBL3886359

CC(Cc1ccccc1)(NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
MAPT P10636 8/20 0.62
HTT P42858 4/20 0.62
L3MBTL1 Q9Y468 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.49
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
ENPEP Q07075 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL3616209 0.89 THRB (0.65) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1644345 0.88 THRB (0.59) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL27836733 0.88 MAPT (0.63) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL3885112 0.84 THRB (0.67) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1647287 0.84 THRB (0.70) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1646719 0.79 THRB (0.63) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1645186 0.78 MAPT (0.78) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1644582 0.78 THRB (0.64) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1645686 0.78 THRB (0.74) THRBMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL1645318 0.77 THRB (1.00) THRBMAPTHTTL3MBTL1SMN1; SMN2

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
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP claimed