SCHEMBL13866552

SCHEMBL13866552

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.38
HDAC2 Q92769 13/20 0.38
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.33
GRM2 Q14416 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9906791 0.87 HDAC1 (0.37) HDAC1HDAC2LMNASMN1; SMN2HPGD
SCHEMBL9906799 0.84 LMNA (0.36) HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL9906809 0.83 HDAC1 (0.38) HDAC1HDAC2LMNASMN1; SMN2GRM2
SCHEMBL20272385 0.80 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2CYP1A2
SCHEMBL9906788 0.80 LMNA (0.43) HDAC1HDAC2LMNASMN1; SMN2HPGD
SCHEMBL18622527 0.78 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2HPGD
SCHEMBL17591250 0.78 HDAC1 (0.34) HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL9906790 0.78 LMNA (0.32) HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL9906800 0.77 HDAC1 (0.38) HDAC1HDAC2LMNASMN1; SMN2GRM2
SCHEMBL12695600 0.76 HDAC1 (0.35) HDAC1HDAC2LMNASMN1; SMN2GRM2

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
US-20090105427-A1 Cleavable Block Copolymers, Functionalized Nanoporous Thin Films and Related Methods of Preparation UNIVERSITY OF MASSACHUSETTS 2009-04-23 US disclosed