SCHEMBL9906798

SCHEMBL9906798

CC(C)(CC(C)(Br)C(=O)OCCOC1CCCCO1)C(=O)OCCSSc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL9906820 0.95 KDM4C (0.39) KDM4CADORA3KMT2AMEN1HDAC1
SCHEMBL9906811 0.94 KDM4C (0.35) KDM4CADORA3KMT2AMEN1HDAC1
SCHEMBL12695656 0.88 KDM4C (0.35) KDM4CADORA3KMT2AMEN1HDAC1
SCHEMBL9906803 0.82 MEN1 (0.36) KDM4CADORA3KMT2AMEN1NPC1
SCHEMBL9906799 0.81 LMNA (0.36) KMT2AHDAC1HDAC2ALDH1A1RAB9A
SCHEMBL9906791 0.80 HDAC1 (0.37) HDAC1HDAC2ALDH1A1NPC1RAB9A
SCHEMBL12695655 0.77 MEN1 (0.33) ADORA3KMT2AMEN1
SCHEMBL13866552 0.76 HDAC1 (0.38) HDAC1HDAC2LMNA
SCHEMBL9906801 0.76 MEN1 (0.38) KDM4CADORA3KMT2AMEN1NPC1
SCHEMBL9906790 0.76 LMNA (0.32) HDAC1HDAC2ALDH1A1LMNA

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