SCHEMBL28069382

SCHEMBL28069382

NS(=O)(=O)Oc1ccc2ccc3ccccc3c2c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.73
CA9 Q16790 9/20 0.73
CA1 P00915 8/20 0.73
CA12 O43570 2/20 0.50
STS P08842 10/20 0.49
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1B1 Q16678 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL15903702 0.85 CA1 (0.52) CA2CA9CA1CA12ALDH1A1
SCHEMBL9750123 0.85 CA2 (1.00) CA2CA9CA1CA12STS
SCHEMBL31194960 0.85 CA2 (1.00) CA2CA9CA1CA12STS
SCHEMBL30901136 0.82 CA1 (0.49) CA2CA9CA1CA12ALDH1A1
SCHEMBL29561407 0.82 CA2 (0.49) CA2CA9CA1CA12ALDH1A1
SCHEMBL15903703 0.82 GAA (0.49) CA2CA9CA1ALDH1A1HIF1A
SCHEMBL30998117 0.82 CA1 (0.49) CA2CA9CA1CA12ALDH1A1
SCHEMBL13722466 0.81 CA2 (0.62) CA2CA9CA1CA12STS
SCHEMBL29930606 0.79 TDP1 (0.58) CA2CA9CA1CA12ALDH1A1
SCHEMBL30290794 0.79 CA1 (0.46) CA2CA9CA1ALDH1A1HIF1A

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-119708106-A Steroid compound and application thereof 润尔眼科药物(广州)有限公司 2025-03-28 CN disclosed
CN-105636592-A Pro-drug forming compounds EVESTRA INC 2016-06-01 CN disclosed