SCHEMBL30669362

SCHEMBL30669362

Cc1c(OCc2ccccc2)c(=O)ccn1C[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.70
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 1/20 0.63
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL30669376 1.00 NPSR1 (0.70) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669327 0.92 HTT (0.67) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669370 0.92 HTT (0.67) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669383 0.91 HTT (0.67) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669399 0.91 HTT (0.67) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669347 0.89 SMN1; SMN2 (0.69) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669315 0.89 SMN1; SMN2 (0.69) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669332 0.89 NPSR1 (0.60) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669328 0.88 HTT (0.59) NPSR1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL30669356 0.88 HTT (0.59) NPSR1MEN1KMT2AHTTSMN1; 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
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