SCHEMBL28609147

SCHEMBL28609147

CC(C)(C)OC(=O)Nc1ccc(I)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PSMB8 P28062 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
CYP17A1 P05093 3/20 0.42
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL29816471 1.00 KDM4E (0.46) KDM4EMAPTCA12CA1CA9
SCHEMBL16412251 0.86 KDM4E (0.49) KDM4EMAPTCA12CA1CA9
SCHEMBL596681 0.84 KDM4E (0.64) KDM4EMAPTCA12CA1CA9
SCHEMBL4969811 0.84 CA12 (0.53) KDM4EMAPTCA12CA1CA9
SCHEMBL30339301 0.84 KDM4E (0.64) KDM4EMAPTCA12CA1CA9
SCHEMBL30258184 0.84 CA12 (0.53) KDM4EMAPTCA12CA1CA9
SCHEMBL1854623 0.82 MAPT (0.54) KDM4EMAPTCA12CA1CA9
SCHEMBL15388323 0.82 PPARG (0.49) KDM4EMAPTCA12CA1CA9
SCHEMBL19233276 0.82 KDM4E (0.46) KDM4EMAPTCA12CA1CA9
SCHEMBL30640612 0.82 MAPT (0.54) KDM4EMAPTCA12CA1CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200908-B Tertiary amine-containing anthranilamide compound and preparation and application thereof 南华大学 2022-07-19 CN disclosed
CN-113200908-A Tertiary amine-containing anthranilamide compound and preparation and application thereof 南华大学 2021-08-03 CN disclosed