SCHEMBL9906809

SCHEMBL9906809

CC(C)NC(=O)C(Br)CC(C)(C)C(=O)OCCSSc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.38
HDAC2 Q92769 13/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12695600 0.85 HDAC1 (0.35) HDAC1HDAC2SMN1; SMN2LMNAGRM2
SCHEMBL13866552 0.83 HDAC1 (0.38) HDAC1HDAC2SMN1; SMN2HPGDHSD17B10
SCHEMBL9906800 0.82 HDAC1 (0.38) HDAC1HDAC2SMN1; SMN2LMNAGRM2
SCHEMBL12695664 0.80 HDAC1 (0.33) HDAC1HDAC2LMNA
SCHEMBL20272385 0.79 LMNA (0.44) HDAC1HDAC2SMN1; SMN2HPGDHSD17B10
SCHEMBL9906788 0.79 LMNA (0.43) HDAC1HDAC2SMN1; SMN2HPGDHSD17B10
SCHEMBL9906791 0.78 HDAC1 (0.37) HDAC1HDAC2SMN1; SMN2HPGDLMNA
SCHEMBL18622527 0.78 LMNA (0.44) HDAC1HDAC2SMN1; SMN2HPGDHSD17B10
SCHEMBL25694834 0.77 HDAC1 (0.33) HDAC1HDAC2SMN1; SMN2
SCHEMBL12695656 0.77 KDM4C (0.35) HDAC1HDAC2LMNAALDH1A1

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