SCHEMBL18029599

SCHEMBL18029599

CCc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.82
HDAC1 Q13547 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
NLRP3 Q96P20 3/20 0.73
LMNA P02545 1/20 0.67

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
SCHEMBL8261934 0.91 DNMT3A (0.84) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL4654636 0.90 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1144242 0.90 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11358623 0.90 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL29808416 0.90 DNMT3A (1.00) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL21586535 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL7029509 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL7026343 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL7029521 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL3784241 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3LMNA

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
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 WO disclosed