SCHEMBL945271

SCHEMBL945271

CC1=NC(c2ccc(F)c(Br)c2)(C2CC2)NC1=S

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.30
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL945249 0.80 CHRNA1 (0.37)
SCHEMBL932191 0.69 BACE1 (0.51)
SCHEMBL18927239 0.69 LMNA (0.33)
SCHEMBL932692 0.68 BACE1 (0.42)
SCHEMBL945955 0.68 BACE1 (0.42)
SCHEMBL21654362 0.68 BACE1 (0.39)
SCHEMBL21654400 0.64 BACE1 (0.32)
SCHEMBL18927279 0.63 BACE1 (0.31)
SCHEMBL24746321 0.60 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8IDO1
SCHEMBL11894190 0.60 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8

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
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed