SCHEMBL12695656

SCHEMBL12695656

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 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 0.89 KDM4C (0.39) KDM4CHDAC1HDAC2ADORA3KMT2A
SCHEMBL9906798 0.88 KDM4C (0.37) KDM4CHDAC1HDAC2ADORA3KMT2A
SCHEMBL9906811 0.84 KDM4C (0.35) KDM4CHDAC1HDAC2ADORA3KMT2A
SCHEMBL9906809 0.77 HDAC1 (0.38) HDAC1HDAC2ALDH1A1LMNA
SCHEMBL12695664 0.76 HDAC1 (0.33) HDAC1HDAC2LMNA
SCHEMBL9906800 0.75 HDAC1 (0.38) HDAC1HDAC2KMT2AALDH1A1LMNA
SCHEMBL9906822 0.72 MEN1 (0.31) KMT2AMEN1
SCHEMBL20272385 0.72 LMNA (0.44) HDAC1HDAC2KMT2AALDH1A1NPC1
SCHEMBL18622527 0.70 LMNA (0.44) HDAC1HDAC2KMT2AALDH1A1NPC1
SCHEMBL9906799 0.70 LMNA (0.36) HDAC1HDAC2KMT2AALDH1A1RAB9A

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-20120245244-A1 Cleavable block copolymers, functionalized nanoporous thin films and related methods of preparation NATIONAL SCIENCE FOUNDATION 2012-09-27 US disclosed