SCHEMBL44887

SCHEMBL44887

CN(CC(=O)O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
CFD P00746 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BDKRB1 P46663 2/20 0.39

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
SCHEMBL44886 1.00 CTSS (0.45) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL44888 0.91 CTSS (0.45) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2730536 0.89 CTSS (0.43) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2730533 0.89 CTSS (0.43) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2731120 0.88 CTSS (0.42) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL45046 0.88 LMNA (0.51) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL45047 0.88 LMNA (0.51) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL46835 0.88 CTSS (0.47) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL46752 0.86 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2719736 0.86 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed