SCHEMBL30669334

SCHEMBL30669334

COc1ccccc1[C@H](O)Cn1ccc(=O)c(OCc2ccccc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
NPC1 O15118 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
TDP1 Q9NUW8 1/20 0.42
MAPK14 Q16539 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL30669380 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669351 0.87 HTT (0.63) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669365 0.87 HTT (0.63) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669375 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669371 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669326 0.85 KMT2A (0.56) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669317 0.85 KMT2A (0.56) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669327 0.85 HTT (0.67) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669370 0.85 HTT (0.67) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL15381942 0.84 HTT (0.71) SMN1; SMN2HTTMEN1KMT2AALDH1A1

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-117105853-A 3-hydroxypyridine-4 (H) -ketone derivative, and preparation method and application thereof 浙江工业大学 2023-11-24 CN disclosed