SCHEMBL28053294

SCHEMBL28053294

O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(Br)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 1.00
ALDH1A1 P00352 7/20 0.83
ALDH3A1 P30838 7/20 0.83
ALDH2 P05091 5/20 0.83
CHRM5 P08912 4/20 0.72
CHRM1 P11229 1/20 0.72
CHRM3 P20309 1/20 0.72
CUL4A Q13619 1/20 0.60
CES1 P23141 2/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL4597560 0.92 ACHE (0.86) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL5659265 0.91 ALDH1A1 (1.00) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL28053364 0.88 ACHE (1.00) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL30937985 0.87 ACHE (0.77) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL28464687 0.85 ACHE (0.73) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL5430888 0.84 CHRM1 (1.00) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL30391378 0.84 CHRM1 (1.00) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL22589198 0.83 ALDH3A1 (1.00) ACHEALDH1A1ALDH3A1ALDH2
SCHEMBL28469805 0.83 ACHE (0.70) ACHEALDH1A1ALDH3A1ALDH2CHRM5
SCHEMBL22589371 0.82 ALDH3A1 (1.00) ACHEALDH1A1ALDH3A1ALDH2

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