SCHEMBL1595547

SCHEMBL1595547

CC(S)C(=O)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
ALDH1A1 P00352 2/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
KDM4E B2RXH2 3/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.48
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL888686 0.84 GSK3B (0.66) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL29915632 0.84 GSK3B (0.66) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL14549447 0.82 GSK3B (0.63) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL17275389 0.81 GSK3B (0.61) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL27040064 0.81 GSK3B (0.61) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL24808789 0.81 GSK3B (0.61) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL17275387 0.81 GSK3B (0.61) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL14346755 0.81 GSK3B (0.61) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL5312170 0.81 GSK3B (0.72) GSK3BALDH1A1CES2CES1L3MBTL1
SCHEMBL5160643 0.79 GSK3B (0.59) GSK3BALDH1A1CES2CES1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
WO-2007137430-A1 PREPARATION OF SUPRAMOLECULAR POLYMERS CONTAINING SEQUENCE-SELECTIVE HYDROGEN BONDING SUBUNITS IN THEIR BACKBONE WHICH FORM DOUBLE HELICES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-12-06 WO disclosed
WO-2007137430-A1 PREPARATION OF SUPRAMOLECULAR POLYMERS CONTAINING SEQUENCE-SELECTIVE HYDROGEN BONDING SUBUNITS IN THEIR BACKBONE WHICH FORM DOUBLE HELICES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-12-06 WO disclosed