SCHEMBL9906790

SCHEMBL9906790

CC(C)(CC(C)(Br)C(=O)ON1C(=O)CCC1=O)C(=O)OCCSSc1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9906819 0.93 LMNA (0.34) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL12695664 0.86 HDAC1 (0.33) LMNAHDAC1HDAC2
SCHEMBL9906791 0.84 HDAC1 (0.37) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL9906799 0.83 LMNA (0.36) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL27076397 0.81 HDAC1 (0.37) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2
SCHEMBL9906789 0.80
SCHEMBL29317977 0.80 HPGD (0.40) LMNAALDH1A1SMN1; SMN2
SCHEMBL9906813 0.79
SCHEMBL13866552 0.78 HDAC1 (0.38) LMNAHDAC1HDAC2SMN1; SMN2
SCHEMBL15698867 0.78 ALDH1A1 (0.32) LMNAHDAC1HDAC2ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546488-B2 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation UNIVERSITY OF MASSACHUSETTS (US) 2013-10-01 US disclosed
US-20120245244-A1 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation NATIONAL SCIENCE FOUNDATION 2012-09-27 US disclosed
US-8198368-B2 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation UNIVERSITY OF MASSACHUSETTS (US) 2012-06-12 US disclosed
US-20090105427-A1 Cleavable Block Copolymers, Functionalized Nanoporous Thin Films and Related Methods of Preparation UNIVERSITY OF MASSACHUSETTS 2009-04-23 US disclosed