SCHEMBL16144704

SCHEMBL16144704

CC(=O)c1ccc(NC(=O)[C@H](CCCCNO)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.62
SIRT1 Q96EB6 12/20 0.62
SIRT5 Q9NXA8 4/20 0.62
SIRT3 Q9NTG7 3/20 0.62
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL12877577 0.92 SIRT5 (0.68) SIRT2SIRT1SIRT5SIRT3
SCHEMBL1160192 0.92 SIRT5 (0.68) SIRT2SIRT1SIRT5SIRT3
SCHEMBL13449701 0.90 SIRT2 (0.69) SIRT2SIRT1SIRT5SIRT3
SCHEMBL8079485 0.82 SIRT5 (0.80) SIRT2SIRT1SIRT5SIRT3
SCHEMBL1160328 0.81 SIRT5 (0.67) SIRT2SIRT1SIRT5SIRT3
SCHEMBL13449700 0.80 SIRT2 (0.67) SIRT2SIRT1SIRT5SIRT3
SCHEMBL5465199 0.80 HDAC6 (0.67) SIRT2SIRT1SIRT5SIRT3HDAC1
SCHEMBL5459176 0.79 HDAC6 (0.64) SIRT2SIRT1SIRT5SIRT3HDAC1
SCHEMBL5459171 0.79 HDAC6 (0.64) SIRT2SIRT1SIRT5SIRT3HDAC1
SCHEMBL17742350 0.79 SIRT2 (0.69) SIRT2SIRT1SIRT5SIRT3HDAC1

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-2459553-B1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG (CH) 2014-10-01 EP disclosed