SCHEMBL3367582

SCHEMBL3367582

CC(Cc1nc2cc(/C=C/C(=O)NO)ccc2[nH]1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.58
HDAC8 Q9BY41 11/20 0.48
HDAC4 P56524 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
MEF2D Q14814 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3367586 1.00 HDAC1 (0.58) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8291156 0.83 HDAC1 (0.56) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8289428 0.81 HDAC1 (0.85) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL3369008 0.73 HDAC1 (0.84) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL3369012 0.73 HDAC1 (0.84) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8320546 0.73 HDAC1 (0.68) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8242516 0.72 HDAC1 (0.57) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8290498 0.72 HDAC1 (0.57) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL15668237 0.71 HDAC1 (0.56) HDAC1HDAC8HDAC4HDAC6HDAC3
SCHEMBL8289396 0.71 HDAC1 (0.66) HDAC1HDAC8HDAC4HDAC6HDAC3

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