SCHEMBL30961129

SCHEMBL30961129

Cc1cc(Br)cc(C(N)=O)c1NC(=O)c1cc(C(F)(F)F)nn1CC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ SLC2A1 P11166 8/20 0.37
▸ SLC2A3 P11169 8/20 0.37
▸ SLC2A4 P14672 5/20 0.36
▸ SLC2A2 P11168 4/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ NCOR2 Q9Y618 2/20 0.35
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL27257376 1.00 AURKA (0.38) AURKARPS6KB1AURKBSLC2A1SLC2A3
SCHEMBL30961106 0.90 SLC2A1 (0.37) SLC2A1SLC2A3SLC2A4SLC2A2HDAC3
SCHEMBL30961169 0.89 AURKA (0.40) AURKARPS6KB1AURKBSLC2A1SLC2A3
SCHEMBL27256587 0.89 AURKA (0.40) AURKARPS6KB1AURKBSLC2A1SLC2A3
SCHEMBL27256289 0.88 LMNA (0.34) SLC2A1SLC2A3SLC2A4MAPTALDH1A1
SCHEMBL27257568 0.87 LMNA (0.34) SLC2A1SLC2A3SLC2A4MAPTALDH1A1
SCHEMBL27257509 0.86 SLC2A1 (0.32) AURKARPS6KB1AURKBSLC2A1SLC2A3
SCHEMBL27257490 0.86 LMNA (0.37) SLC2A1SLC2A3SLC2A4SLC2A2NPSR1
SCHEMBL27257518 0.83 MAPT (0.33) MAPTLMNA
SCHEMBL30961147 0.83 SLC2A1 (0.32) SLC2A1SLC2A3SLC2A4SLC2A2

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
WO-2024133426-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 — — WO disclosed
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