SCHEMBL3370685

SCHEMBL3370685

CC(NC(=O)c1ccncc1)c1nc2cc(C=CC(=O)NO)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.52
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 9/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
MEF2D Q14814 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL8291156 0.73 HDAC1 (0.56) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL3366907 0.71 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL6526024 0.69 L3MBTL1 (0.55) L3MBTL1KDM4ELMNA
SCHEMBL6533170 0.69 L3MBTL1 (0.55) L3MBTL1KDM4ELMNA
SCHEMBL3370689 0.69 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL3370672 0.69 HDAC1 (1.00) HDAC1HDAC8
SCHEMBL830718 0.69 HDAC1 (0.48) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL3367582 0.69 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL3367586 0.69 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL8325372 0.68 HDAC1 (0.58) HDAC1HDAC8HDAC6HDAC4HDAC3

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