SCHEMBL29699709

SCHEMBL29699709

COC(=O)c1ccccc1CN1C(=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
ALDH1A1 P00352 6/20 0.58
ALDH3A1 P30838 6/20 0.58
ALDH2 P05091 4/20 0.58
CUL4A Q13619 1/20 0.55
CES1 P23141 1/20 0.51
CHRM5 P08912 4/20 0.48
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL18954751 0.85 ALDH1A1 (0.67) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL281572 0.85 TGM2 (0.57) ACHEALDH1A1ALDH3A1ALDH2CES1
SCHEMBL5657440 0.80 ALDH1A1 (0.67) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL28469805 0.80 ACHE (0.70) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL28799626 0.80 ALDH1A1 (0.62) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL5659567 0.78 ALDH1A1 (0.71) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL18954567 0.77 ALDH1A1 (0.55) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL18955277 0.75 PARK7 (0.63) ALDH1A1ALDH3A1CHRM5TP53MAPT
SCHEMBL5659265 0.74 ALDH1A1 (1.00) ACHEALDH1A1ALDH3A1ALDH2CUL4A
SCHEMBL18954858 0.73 ACHE (0.63) ACHEALDH1A1ALDH3A1ALDH2CHRM5

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-111747883-B 1-benzyl isatin derivative and synthesis method and application thereof 中南大学 2022-07-01 CN disclosed