SCHEMBL28669351

SCHEMBL28669351

COc1ccc(CNC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 12/20 0.74
▸ PTGS2 P35354 2/20 0.69
▸ TOP1 P11387 5/20 0.61
▸ LMNA P02545 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ APEX1 P27695 1/20 0.58

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 0.87 MT-CO2 (0.78) MT-CO2PTGS2TOP1LMNAHPGD
SCHEMBL28665253 0.86 MT-CO2 (0.70) MT-CO2PTGS2TOP1LMNAHPGD
SCHEMBL28680137 0.81 MT-CO2 (0.71) MT-CO2PTGS2TOP1HPGD
SCHEMBL10107718 0.79 LMNA (0.63) LMNAHPGDAPEX1
SCHEMBL28661448 0.76 TOP1 (1.00) MT-CO2PTGS2TOP1LMNAHPGD
SCHEMBL10107716 0.76 APEX1 (0.66) LMNAHPGDAPEX1
SCHEMBL7405848 0.76 APEX1 (0.66) LMNAHPGDAPEX1
SCHEMBL16135725 0.75 LMNA (0.74) MT-CO2LMNAHPGDAPEX1
SCHEMBL1813399 0.74 GAA (0.66) LMNAHPGD
SCHEMBL21773965 0.74 MT-CO2 (0.53) MT-CO2PTGS2LMNAHPGDAPEX1

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
Send feedback