SCHEMBL10180948

SCHEMBL10180948

COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(OC(=O)O)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.64
HDAC1 Q13547 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
NLRP3 Q96P20 3/20 0.59

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
SCHEMBL10180395 0.89 CNR1 (0.50) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153988 0.87 DNMT3A (0.60) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153776 0.86 DNMT3A (0.67) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL10180892 0.85 DNMT3A (0.68) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL4654636 0.83 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL3655099 0.82 DNMT3A (0.77) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL10181121 0.81 DNMT3A (0.56) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11358623 0.81 DNMT3A (0.82) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL10180958 0.81 DNMT3A (0.49) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL1153738 0.81 DNMT3A (0.73) DNMT3AHDAC1HDAC6NLRP3

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
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP claimed