SCHEMBL28670768

SCHEMBL28670768

Cc1cccc(Nc2ccccc2C(=O)Nc2ccc(N(C)C)cc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.64
▸ TOP1 P11387 3/20 0.64
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ AKR1B10 O60218 1/20 0.57
▸ TRPA1 O75762 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ DHFR P00374 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ AKR1B1 P15121 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57

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
SCHEMBL24172126 0.87 PTGS2 (0.70) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL28689408 0.86 PTGS2 (0.68) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL28930326 0.82 TOP1 (0.78) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL28679794 0.78 PTGS2 (1.00) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL9736935 0.77 PTGS2 (0.71) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL7925344 0.76 PTGS2 (0.76) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL9262003 0.76 PTGS2 (0.69) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL12651967 0.74 MAPT (0.60) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL10517580 0.74 PTGS2 (0.68) PTGS2TOP1MEN1KMT2ATDP1
SCHEMBL2680413 0.74 LMNA (0.69) MEN1KMT2ATDP1LMNARAB9A

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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