SCHEMBL28905922

SCHEMBL28905922

Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 13/20 0.72
▸ PTGS2 P35354 5/20 0.71
▸ TOP1 P11387 5/20 0.71
▸ POLB P06746 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ MEN1 O00255 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TTR P02766 1/20 0.59
▸ PLA2G1B P04054 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HTR1A P08908 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ AR P10275 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59

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
SCHEMBL28687925 0.86 MT-CO2 (0.76) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL29258883 0.84 MT-CO2 (1.00) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL28661454 0.83 MT-CO2 (1.00) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL28679799 0.83 MT-CO2 (0.71) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL28905892 0.83 MT-CO2 (0.71) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL29940889 0.82 MT-CO2 (0.75) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL16579971 0.82 MT-CO2 (0.75) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL28905882 0.81 MT-CO2 (1.00) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL29940645 0.81 MT-CO2 (1.00) MT-CO2PTGS2TOP1MEN1USP2
SCHEMBL29258881 0.81 MT-CO2 (0.67) MT-CO2PTGS2TOP1MEN1USP2

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-115108931-B Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2024-06-14 — — CN disclosed
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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