SCHEMBL29479729

SCHEMBL29479729

CCOC(=O)c1cc(-c2nc3cc(C(=O)NC)ccc3o2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ HDAC6 Q9UBN7 14/20 0.49
▸ HDAC3 O15379 5/20 0.47
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL28695257 1.00 MAPT (0.50) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL28936297 0.89 MAPT (0.48) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL29479632 0.89 MAPT (0.48) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL23033958 0.85 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29479718 0.84 MAPT (0.44) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL23012158 0.84 MAPT (0.44) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL23012156 0.84 MAPT (0.44) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL23033302 0.83 CETP (0.48) MAPTHDAC6TP53POLB
SCHEMBL28706421 0.80 CETP (0.56) HDAC6
SCHEMBL29479831 0.80 CETP (0.56) HDAC6

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-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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