SCHEMBL29279203

SCHEMBL29279203

CCCCC(OC(=O)c1nc(C)c(C)nc1C)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28858626 0.81 TP53 (0.44) MAPTTP53KMT2ATDP1GAA
SCHEMBL28955162 0.81 TP53 (0.44) MAPTTP53KMT2ATDP1GAA
SCHEMBL28858616 0.81 TP53 (0.44) MAPTTP53KMT2ATDP1GAA
SCHEMBL29279205 0.79 ALDH1A1 (0.54) MAPTTP53KMT2ATDP1GAA
SCHEMBL6467404 0.66 TSHR (0.51) TP53KMT2ATDP1LMNAALDH1A1
SCHEMBL20320310 0.65 KMT2A (0.54) MAPTTP53KMT2ATDP1GAA
SCHEMBL23544514 0.65 ALDH1A1 (0.50) TP53KMT2ATDP1LMNAALDH1A1
SCHEMBL6472214 0.65 ALDH1A1 (0.44) MAPTTP53KMT2ATDP1GAA
SCHEMBL6467391 0.65 TSHR (0.53) TP53TDP1GAALMNAHTT
SCHEMBL29361005 0.65 ALDH1A1 (0.50) TP53KMT2ATDP1LMNAALDH1A1

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
CN-117586232-A Edaravone prodrug derivative and application thereof 天地恒一制药股份有限公司 2024-02-23 — — CN disclosed
Send feedback