SCHEMBL30669348

SCHEMBL30669348

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 3/20 0.39
KDM6A O15550 1/20 0.39
KDM4A O75164 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM5C P41229 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
DOHH Q9BU89 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
HSD11B1 P28845 1/20 0.39
COMT P21964 2/20 0.38
GRIN2B Q13224 1/20 0.37
APP P05067 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CES2 O00748 1/20 0.35

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
SCHEMBL30669335 1.00 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669359 0.85 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669374 0.85 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669409 0.82 SMN1; SMN2 (0.60) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669346 0.82 SMN1; SMN2 (0.60) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669333 0.81 MAOB (0.47) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669330 0.81 MAOB (0.47) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669340 0.80 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669349 0.80 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669344 0.77 HTT (0.47) KDM4ETP53CYP2D6HTTSMN1; 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