SCHEMBL29220077

SCHEMBL29220077

O=C1C(=O)N(CCBr)c2ccc(Br)cc21

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
ALDH3A1 P30838 7/20 0.67
ALDH2 P05091 5/20 0.67
ACHE P22303 3/20 0.65
CES1 P23141 3/20 0.63
BCHE P06276 2/20 0.63
CUL4A Q13619 1/20 0.61
PARK7 Q99497 2/20 0.49
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL29011253 0.90 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL11147994 0.89 ALDH1A1 (0.62) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL29011247 0.88 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL21001752 0.85 ALDH1A1 (0.65) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL6176074 0.82 ALDH1A1 (0.58) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL29220078 0.82 ALDH3A1 (0.65) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL30404094 0.81 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL22667293 0.81 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL22667286 0.81 CUL4A (0.68) ALDH1A1ALDH3A1ALDH2ACHECES1
SCHEMBL30403461 0.81 CUL4A (0.68) ALDH1A1ALDH3A1ALDH2ACHECES1

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-119735585-A Novel substituted isatin-coumarin derivative and preparation method and application thereof 广东医科大学 2025-04-01 CN disclosed
CN-118108654-B Substituted isatin-ferulic acid ester derivative and preparation method and application thereof 广东医科大学 2025-03-07 CN disclosed
CN-118108654-A Substituted isatin-ferulic acid ester derivative and preparation method and application thereof 广东医科大学 2024-05-31 CN disclosed