SCHEMBL534890

SCHEMBL534890

Cc1c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c(C)c(N2CCCCC2C)c(C)c1N1CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACLY P53396 19/20 0.42
WDR5 P61964 1/20 0.37

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
SCHEMBL533025 0.82 ACLY (0.45) ACLY
SCHEMBL532815 0.75 ACLY (0.53) ACLY
SCHEMBL533015 0.74 ACLY (0.54) ACLY
SCHEMBL8321880 0.70 ACLY (0.47) ACLY
SCHEMBL532985 0.70 ACLY (0.58) ACLY
SCHEMBL533495 0.69 ACLY (0.57) ACLY
SCHEMBL532915 0.68 ACLY (0.57) ACLYWDR5
SCHEMBL14288684 0.67 ACLY (0.53) ACLY
SCHEMBL532990 0.66 ACLY (0.59) ACLYWDR5
SCHEMBL533484 0.66 ACLY (0.58) ACLY

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-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed