SCHEMBL28679794

SCHEMBL28679794

COc1ccc(NC(=O)c2ccccc2Nc2cccc(C)c2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 1.00
▸ TOP1 P11387 4/20 1.00
▸ KMT2A Q03164 7/20 0.64
▸ MEN1 O00255 5/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.59
▸ MT-CO2 P00403 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ KCNK3 O14649 2/20 0.57
▸ KCNK9 Q9NPC2 2/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ LMNA P02545 2/20 0.55
▸ AKR1B10 O60218 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ DHFR P00374 1/20 0.54
▸ MPO P05164 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
SCHEMBL28670758 0.91 PTGS2 (0.83) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL28930326 0.85 TOP1 (0.78) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL24172126 0.82 PTGS2 (0.70) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL28689408 0.81 PTGS2 (0.68) PTGS2TOP1KMT2AMEN1MT-CO2
SCHEMBL28661448 0.78 TOP1 (1.00) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL28670768 0.78 PTGS2 (0.64) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL28665402 0.77 RXFP1 (0.80) PTGS2TOP1NR1H4RXFP1
SCHEMBL9733796 0.77 PTGS2 (0.66) PTGS2TOP1KMT2AMEN1MT-CO2
SCHEMBL12189396 0.77 KMT2A (0.69) PTGS2TOP1KMT2AMEN1ALDH1A1
SCHEMBL17079628 0.76 MEN1 (0.71) PTGS2TOP1KMT2AMEN1ALDH1A1

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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