SCHEMBL28665253

SCHEMBL28665253

COc1cc(CNC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 15/20 0.70
▸ TOP1 P11387 5/20 0.63
▸ PTGS2 P35354 3/20 0.63
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ PLA2G1B P04054 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ AR P10275 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL28667602 0.90 MT-CO2 (0.78) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL28669351 0.86 MT-CO2 (0.74) MT-CO2TOP1PTGS2LMNAHPGD
SCHEMBL6352714 0.84 HPGD (0.64) USP2LMNAMAPTHPGDKMT2A
SCHEMBL28661454 0.77 MT-CO2 (1.00) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL28680137 0.77 MT-CO2 (0.71) MT-CO2TOP1PTGS2MEN1HPGD
SCHEMBL30593456 0.74 MT-CO2 (0.73) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL13465152 0.74 MT-CO2 (0.73) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL10518206 0.74 MT-CO2 (0.73) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL10310894 0.73 MT-CO2 (0.60) MT-CO2TOP1PTGS2MEN1USP2
SCHEMBL16752486 0.73 MT-CO2 (0.63) MT-CO2TOP1PTGS2MEN1USP2

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-113651768-A N-aryl anthranilamide compound and preparation and application thereof 南华大学 2021-11-16 — — CN disclosed
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