SCHEMBL3372215

SCHEMBL3372215

O=C(C=Cc1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC8 Q9BY41 14/20 1.00
HDAC3 O15379 2/20 1.00
HDAC4 P56524 2/20 1.00
HDAC2 Q92769 2/20 1.00
HDAC10 Q969S8 2/20 1.00
HDAC11 Q96DB2 2/20 1.00
HDAC6 Q9UBN7 2/20 1.00
HDAC9 Q9UKV0 2/20 1.00
HDAC5 Q9UQL6 2/20 1.00

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
SCHEMBL29562472 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13118363 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL29562477 0.99 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3370782 0.99 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13118162 0.99 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3370969 0.95 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3370965 0.95 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3368681 0.93 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3368679 0.93 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13118185 0.90 HDAC1 (0.83) HDAC1HDAC8HDAC3HDAC4HDAC2

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
EP-1673349-B1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2010-06-30 EP claimed