SCHEMBL28670758

SCHEMBL28670758

COc1cc(NC(=O)c2ccccc2Nc2cccc(C)c2C)ccc1Br

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.83
▸ TOP1 P11387 5/20 0.83
▸ RXFP1 Q9HBX9 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MT-CO2 P00403 2/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KCNK3 O14649 2/20 0.53
▸ KCNK9 Q9NPC2 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GRM4 Q14833 1/20 0.53
▸ LMNA P02545 2/20 0.50
▸ NR1H4 Q96RI1 2/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ DHFR P00374 1/20 0.50
▸ MPO P05164 1/20 0.50

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
SCHEMBL28679794 0.91 PTGS2 (1.00) PTGS2TOP1RXFP1KDM4EMT-CO2
SCHEMBL28930326 0.82 TOP1 (0.78) PTGS2TOP1KDM4EMT-CO2KMT2A
SCHEMBL24172126 0.78 PTGS2 (0.70) PTGS2TOP1RXFP1MT-CO2KMT2A
SCHEMBL28689408 0.78 PTGS2 (0.68) PTGS2TOP1MT-CO2KMT2AMEN1
SCHEMBL12181724 0.77 ALDH1A1 (0.65) PTGS2KDM4EKMT2AMEN1ALDH1A1
SCHEMBL28661448 0.75 TOP1 (1.00) PTGS2TOP1MT-CO2KMT2AMEN1
SCHEMBL28670768 0.75 PTGS2 (0.64) PTGS2TOP1KDM4EMT-CO2KMT2A
SCHEMBL9736935 0.74 PTGS2 (0.71) PTGS2TOP1RXFP1KDM4EMT-CO2
SCHEMBL24670251 0.74 POLB (0.56) RXFP1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL9733796 0.73 PTGS2 (0.66) PTGS2TOP1RXFP1KDM4EMT-CO2

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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