SCHEMBL3369172

SCHEMBL3369172

COc1ccc(CNCc2nc3cc(C=CC(=O)NO)ccc3n2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC8 Q9BY41 9/20 0.66
HDAC2 Q92769 7/20 0.66
HDAC3 O15379 5/20 0.66
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 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
SCHEMBL3369167 1.00 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL3368459 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL3368463 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL3366963 0.88 HDAC1 (0.80) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL3366966 0.88 HDAC1 (0.80) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL16788426 0.86 HDAC1 (0.75) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL13227295 0.81 HDAC1 (0.69) HDAC1HDAC8HDAC2HDAC11HDAC6
SCHEMBL3399883 0.81 HDAC1 (0.78) HDAC1HDAC8HDAC6
SCHEMBL3399885 0.81 HDAC1 (0.78) HDAC1HDAC8HDAC6
SCHEMBL13118171 0.80 HDAC1 (0.84) 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