SCHEMBL29479698

SCHEMBL29479698

N#Cc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.52
▸ CETP P11597 19/20 0.49
▸ CEPT1 Q9Y6K0 1/20 0.47

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
SCHEMBL28710674 1.00 HDAC6 (0.52) HDAC6CETPCEPT1
SCHEMBL28706421 0.83 CETP (0.56) HDAC6CETPCEPT1
SCHEMBL29479831 0.83 CETP (0.56) HDAC6CETPCEPT1
SCHEMBL23012902 0.82 PIK3CA (0.63) HDAC6
SCHEMBL29479649 0.82 PIK3CA (0.63) HDAC6
SCHEMBL16151090 0.81 HDAC6 (0.68) HDAC6CETPCEPT1
SCHEMBL29479777 0.81 SMN1; SMN2 (0.59) —
SCHEMBL28711116 0.81 SMN1; SMN2 (0.59) —
SCHEMBL31165972 0.79 PIK3CB (0.43) HDAC6
SCHEMBL23012890 0.79 HDAC6 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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