SCHEMBL8290490

SCHEMBL8290490

C=C(/C=C/c1ccc2c(c1)nc(CCC1CCCCC1)n2CCN1CCCC1)NO

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.60
▸ HDAC8 Q9BY41 11/20 0.60
▸ HDAC6 Q9UBN7 5/20 0.60
▸ HDAC3 O15379 4/20 0.60
▸ HDAC4 P56524 4/20 0.60
▸ HDAC2 Q92769 4/20 0.60
▸ HDAC10 Q969S8 4/20 0.60
▸ HDAC11 Q96DB2 4/20 0.60
▸ HDAC9 Q9UKV0 4/20 0.60
▸ HDAC5 Q9UQL6 4/20 0.60
▸ HDAC7 Q8WUI4 2/20 0.43

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
SCHEMBL8290488 0.99 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL13226936 0.90 HDAC1 (0.74) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL13118189 0.89 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8289364 0.85 HDAC1 (0.82) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3372282 0.83 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3372287 0.83 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL13118185 0.79 HDAC1 (0.83) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3632825 0.79 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL19732376 0.76 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3370990 0.76 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4

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-2005028447-A1 BENZIMIDAZOLE DERIVATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-03-31 — — WO disclosed
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