SCHEMBL3655099

SCHEMBL3655099

COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.77
NLRP3 Q96P20 3/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71

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
SCHEMBL3784241 0.93 DNMT3A (0.80) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1153738 0.91 DNMT3A (0.73) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL11687781 0.91 DNMT3A (0.93) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154845 0.89 DNMT3A (0.71) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154615 0.88 DNMT3A (0.67) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154026 0.88 DNMT3A (0.69) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL8261934 0.88 DNMT3A (0.84) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154060 0.87 DNMT3A (0.68) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL10180892 0.87 DNMT3A (0.68) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154138 0.87 DNMT3A (0.68) DNMT3ANLRP3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed