SCHEMBL9906800

SCHEMBL9906800

CC(C)(CC(Br)c1ccccc1)C(=O)OCCSSc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.38
HDAC2 Q92769 13/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.84 HDAC1 (0.35) HDAC1HDAC2ALDH1A1LMNAGRM2
SCHEMBL20272385 0.82 LMNA (0.44) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL9906809 0.82 HDAC1 (0.38) HDAC1HDAC2ALDH1A1LMNAGRM2
SCHEMBL9906788 0.82 LMNA (0.43) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL18622527 0.81 LMNA (0.44) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL12695664 0.80 HDAC1 (0.33) HDAC1HDAC2LMNA
SCHEMBL9906791 0.79 HDAC1 (0.37) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL9906799 0.78 LMNA (0.36) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL13866552 0.77 HDAC1 (0.38) HDAC1HDAC2LMNAGRM2SMN1; SMN2
SCHEMBL17264993 0.76 ATM (0.37) ALDH1A1LMNAKMT2ACHRM2CHRM4

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