SCHEMBL30967409

SCHEMBL30967409

O=C1C(=O)N(Cc2ccccc2)c2c(Cl)cccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.70
CHRM3 P20309 1/20 0.70
ALDH1A1 P00352 6/20 0.64
ALDH3A1 P30838 5/20 0.64
CASP3 P42574 2/20 0.63
CES1 P23141 4/20 0.61
ALDH2 P05091 3/20 0.61
CHRM1 P11229 1/20 0.61
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
APAF1 O14727 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL28026196 0.89 CHRM5 (0.72) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL12930258 0.83 CHRM5 (0.81) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL30030790 0.83 CHRM5 (1.00) CHRM5CHRM3ALDH1A1ALDH3A1CES1
SCHEMBL27881830 0.83 ALDH1A1 (0.64) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL3020942 0.83 CASP3 (0.61) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL12930211 0.83 CHRM5 (0.76) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL28704458 0.82 CHRM5 (0.63) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL29417352 0.82 CHRM5 (0.63) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL28336739 0.81 CHRM5 (0.49) CHRM5CHRM3ALDH1A1ALDH3A1CASP3
SCHEMBL18954872 0.81 CHRM5 (0.55) CHRM5CHRM3ALDH1A1ALDH3A1CES1

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-118459390-B 3-Hydroxy oxindole derivative containing Z-type 1, 4-dicarbonyl olefin, and preparation method and application thereof SUN YAT-SEN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-118459390-A 3-Hydroxy oxindole derivative containing Z-type 1, 4-dicarbonyl olefin, and preparation method and application thereof 中山大学 2024-08-09 CN disclosed