SCHEMBL28661448

SCHEMBL28661448

COc1cc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 6/20 1.00
▸ PTGS2 P35354 6/20 0.82
▸ MT-CO2 P00403 9/20 0.71
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TTR P02766 1/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ AR P10275 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ CYP2C19 P33261 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
SCHEMBL28661454 0.83 MT-CO2 (1.00) TOP1PTGS2MT-CO2MEN1USP2
SCHEMBL29940781 0.82 MT-CO2 (0.80) TOP1PTGS2MT-CO2MEN1KMT2A
SCHEMBL28905879 0.82 MT-CO2 (0.80) TOP1PTGS2MT-CO2MEN1KMT2A
SCHEMBL31607039 0.80 PTGS2 (0.72) TOP1PTGS2MT-CO2MAPTSMN1; SMN2
SCHEMBL28687925 0.79 MT-CO2 (0.76) TOP1PTGS2MT-CO2MEN1USP2
SCHEMBL28679794 0.78 PTGS2 (1.00) TOP1PTGS2MT-CO2MEN1LMNA
SCHEMBL28905892 0.78 MT-CO2 (0.71) TOP1PTGS2MT-CO2MEN1USP2
SCHEMBL28679799 0.78 MT-CO2 (0.71) TOP1PTGS2MT-CO2MEN1USP2
SCHEMBL28669351 0.76 MT-CO2 (0.74) TOP1PTGS2MT-CO2LMNAHPGD
SCHEMBL28905922 0.76 MT-CO2 (0.72) TOP1PTGS2MT-CO2MEN1USP2

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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