SCHEMBL30745448

SCHEMBL30745448

COc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1CN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ RECQL P46063 1/20 0.58
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ AR P10275 2/20 0.50
▸ APP P05067 1/20 0.49

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
SCHEMBL30745463 0.91 SMN1; SMN2 (0.67) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745491 0.90 SMN1; SMN2 (0.66) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745511 0.90 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4ELMNAABCG2
SCHEMBL30745499 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4ELMNAABCG2
SCHEMBL30745403 0.89 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745501 0.82 MAPT (0.59) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745412 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MAPTKDM4ELMNAMAOB
SCHEMBL25203508 0.81 SMN1; SMN2 (0.81) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745506 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL30745514 0.80 ACHE (0.61) SMN1; SMN2MAPTKDM4ELMNAMAOB

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-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN claimed
CN-117567303-A Chalcone Mannich base compound, pharmaceutical composition, preparation method and application thereof 安徽中医药大学 2024-02-20 — — CN disclosed
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