SCHEMBL28409463

SCHEMBL28409463

CC(C)c1ccc(OCc2ccccc2)c(C(=O)NCc2cccc(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SGMS2 Q8NHU3 3/20 0.54
LRRK2 Q5S007 4/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NPC1 O15118 1/20 0.46
PPARA Q07869 1/20 0.45
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
KCNB1 Q14721 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL28414821 0.85 LMNA (0.53) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL28417425 0.85 LRRK2 (0.72) SGMS2LRRK2KMT2A
SCHEMBL30779518 0.85 LMNA (0.55) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL21644520 0.85 LMNA (0.55) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL28419055 0.81 SGMS2 (0.59) LMNAMAPTL3MBTL1SGMS2LRRK2
SCHEMBL29244975 0.81 SGMS2 (0.54) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL28415323 0.79 NPC1 (0.54) L3MBTL1SGMS2LRRK2SMN1; SMN2KMT2A
SCHEMBL382849 0.78 FOLH1 (0.62) MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21678110 0.76 LMNA (0.68) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL1648346 0.75 HTT (0.50) L3MBTL1ALDH1A1MAPK1HTTSMN1; 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-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed