SCHEMBL29940781

SCHEMBL29940781

COc1ccccc1Oc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 8/20 0.80
▸ TOP1 P11387 6/20 0.80
▸ PTGS2 P35354 5/20 0.80
▸ GAA P10253 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ PNLIP P16233 1/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ RAB9A P51151 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
SCHEMBL28905879 1.00 MT-CO2 (0.80) MT-CO2TOP1PTGS2GAAHTT
SCHEMBL28661454 0.89 MT-CO2 (1.00) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL15164883 0.84 HTT (0.74) MT-CO2TOP1PTGS2GAAHTT
SCHEMBL29258884 0.82 MT-CO2 (0.78) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL28661448 0.82 TOP1 (1.00) MT-CO2TOP1PTGS2HTTMEN1
SCHEMBL28687925 0.81 MT-CO2 (0.76) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL28905922 0.80 MT-CO2 (0.72) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL29940782 0.80 MT-CO2 (0.74) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL28905877 0.80 MT-CO2 (0.74) MT-CO2TOP1PTGS2MEN1KMT2A
SCHEMBL28905883 0.79 MT-CO2 (0.73) MT-CO2TOP1PTGS2MEN1KMT2A

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-115108931-A Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2022-09-27 — — CN disclosed
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