SCHEMBL28053291

SCHEMBL28053291

Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.74
ALDH1A1 P00352 6/20 0.65
ALDH2 P05091 3/20 0.65
ALDH3A1 P30838 3/20 0.65
HSP90AA1 P07900 1/20 0.58
MAPT P10636 5/20 0.56
TP53 P04637 3/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
RCE1 Q9Y256 1/20 0.51
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 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
SCHEMBL28053364 0.85 ACHE (1.00) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1
SCHEMBL578250 0.85 ACHE (0.74) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1
SCHEMBL28074704 0.84 CA1 (0.68) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1
SCHEMBL18974295 0.83 CHRM1 (0.71) ACHEALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL16329852 0.82 ACHE (0.83) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1
SCHEMBL18954581 0.81 CA1 (0.75) ACHEALDH1A1ALDH2ALDH3A1CA1
SCHEMBL5659265 0.79 ALDH1A1 (1.00) ACHEALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18974299 0.78 ALDH1A1 (0.69) ACHEALDH1A1ALDH2ALDH3A1MAPT
SCHEMBL4597228 0.78 ACHE (0.77) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1
SCHEMBL28070700 0.77 ACHE (0.66) ACHEALDH1A1ALDH2ALDH3A1HSP90AA1

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-105237521-B A kind of cumarin-isatin type compound and its preparation method and purposes 诸暨市志缇生物科技有限公司 2018-08-24 CN disclosed
CN-105237521-A Coumarin-isatin type compounds, and preparation method and purpose thereof UNIV JISHOU 2016-01-13 CN disclosed