SCHEMBL9906791

SCHEMBL9906791

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.37
HDAC2 Q92769 10/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK10 P53779 1/20 0.34
RGS12 O14924 1/20 0.34
MAPT P10636 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL9906799 0.90 LMNA (0.36) HDAC1HDAC2LMNASMN1; SMN2RAB9A
SCHEMBL13866552 0.87 HDAC1 (0.38) HDAC1HDAC2LMNASMN1; SMN2HPGD
SCHEMBL9906790 0.84 LMNA (0.32) HDAC1HDAC2LMNASMN1; SMN2ALDH1A1
SCHEMBL20272385 0.84 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2RAB9A
SCHEMBL9906788 0.84 LMNA (0.43) HDAC1HDAC2LMNASMN1; SMN2RAB9A
SCHEMBL18622527 0.82 LMNA (0.44) HDAC1HDAC2LMNASMN1; SMN2RAB9A
SCHEMBL26457007 0.81 LMNA (0.39) HDAC1HDAC2LMNASMN1; SMN2RAB9A
SCHEMBL9906798 0.80 KDM4C (0.37) HDAC1HDAC2LMNARAB9ANPC1
SCHEMBL686152 0.79 HDAC1 (0.39) HDAC1HDAC2LMNASMN1; SMN2ALDH1A1
SCHEMBL16941006 0.79 LMNA (0.37) HDAC1HDAC2LMNASMN1; SMN2RAB9A

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