SCHEMBL27836733

SCHEMBL27836733

CC(CCCc1ccccc1)(NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
HTT P42858 4/20 0.63
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
LTB4R Q15722 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 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
SCHEMBL3886359 0.88 THRB (0.62) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL3616209 0.81 THRB (0.65) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL3885112 0.81 THRB (0.67) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1644345 0.79 THRB (0.59) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1645537 0.78 MAPT (1.00) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1646719 0.76 THRB (0.63) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1645186 0.75 MAPT (0.78) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1644582 0.75 THRB (0.64) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1645686 0.75 THRB (0.74) MAPTHTTTHRBL3MBTL1SMN1; SMN2
SCHEMBL1645318 0.74 THRB (1.00) MAPTHTTTHRBL3MBTL1SMN1; 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 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