SCHEMBL28515486

SCHEMBL28515486

COc1cc(C=O)ccc1Oc1c[c]ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
ALDH1A1 P00352 10/20 0.58
TSHR P16473 1/20 0.58
FDPS P14324 1/20 0.51
TTR P02766 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
AOX1 Q06278 1/20 0.43
TRIM24 O15164 1/20 0.43
HPGD P15428 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL28283107 0.82 MAPT (0.72) MAPTALDH1A1TSHRFDPSTTR
SCHEMBL2751085 0.81 CA12 (0.53) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL591867 0.80 MAPT (0.69) MAPTALDH1A1TSHRFDPSTTR
SCHEMBL2753983 0.77 PDGFRB (0.49) MAPTALDH1A1SMN1; SMN2HTTGAA
SCHEMBL21328335 0.76 ALDH1A1 (0.85) MAPTALDH1A1TSHRFDPSTTR
SCHEMBL21328359 0.76 MAPT (0.68) MAPTALDH1A1TSHRFDPSTTR
SCHEMBL2752089 0.76 CA12 (0.50) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL1869030 0.76 ALDH1A1 (0.84) MAPTALDH1A1TSHRFDPSTTR
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.76 ALDH1A1 (1.00) MAPTALDH1A1TSHRFDPSTTR
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.76 ALDH1A1 (1.00) MAPTALDH1A1TSHRFDPSTTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553642-B Synthesis method and application of o-vanillin iso-nicotinyl hydrazone iron and nickel complex 南京林业大学 2021-02-02 CN claimed
CN-109553642-B Synthesis method and application of o-vanillin iso-nicotinyl hydrazone iron and nickel complex 南京林业大学 2021-02-02 CN disclosed
CN-109553642-B Synthesis method and application of o-vanillin iso-nicotinyl hydrazone iron and nickel complex 南京林业大学 2021-02-02 CN disclosed