SCHEMBL3369155

SCHEMBL3369155

CC(C)c1nc2cc(C=CC(=O)NO)ccc2n1CCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 1.00
▸ HDAC8 Q9BY41 13/20 0.75
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL3369151 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL18102185 0.89 HDAC1 (0.81) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3368667 0.86 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3368669 0.86 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL13118140 0.83 HDAC1 (0.72) HDAC1HDAC8HDAC6
SCHEMBL3368809 0.81 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3369171 0.81 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3367270 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3367267 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3368979 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC6

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
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