SCHEMBL3370736

SCHEMBL3370736

CC(C)Cc1nc2cc(C=CC(=O)NO)ccc2n1CCc1ccccn1

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 1.00
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL3370735 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13227281 0.92 HDAC1 (0.84) HDAC1HDAC8
SCHEMBL3366976 0.87 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3366977 0.87 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3367387 0.87 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL13118112 0.87 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL3368669 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3368667 0.82 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3368793 0.82 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3368800 0.82 HDAC1 (1.00) HDAC1HDAC8

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