SCHEMBL31091697

SCHEMBL31091697

CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccc(N3CCC(Oc4cccc(C5CCC(=O)NC5=O)c4)CC3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 14/20 0.55
▸ BRD9 Q9H8M2 3/20 0.55
▸ KAT2A Q92830 2/20 0.55
▸ BPTF Q12830 2/20 0.55
▸ BRD1 O95696 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ BRPF1 P55201 1/20 0.55
▸ BRD7 Q9NPI1 1/20 0.55
▸ BAZ2B Q9UIF8 1/20 0.55
▸ BRPF3 Q9ULD4 1/20 0.55
▸ DDB1 Q16531 5/20 0.39
▸ CRBN Q96SW2 5/20 0.39

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
SCHEMBL30830886 0.90 KAT2B (0.53) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830729 0.90 KAT2B (0.52) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830817 0.88 KAT2B (0.54) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830680 0.87 KAT2B (0.54) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830501 0.84 KAT2B (0.54) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30831057 0.83 KAT2B (0.53) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830778 0.82 KAT2B (0.54) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830687 0.82 KAT2B (0.60) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL31091703 0.82 KAT2B (0.52) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830585 0.82 KAT2B (0.48) KAT2BBRD9KAT2ABPTFBRD1

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-2024220843-A1 TECHNOLOGIES TARGETING CELL STATES AURON THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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