SCHEMBL46835

SCHEMBL46835

CN(C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TAS1R2 Q8TE23 2/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
AURKA O14965 1/20 0.42
CFD P00746 2/20 0.41

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
SCHEMBL16355237 0.93 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL46752 0.93 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL2719736 0.93 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL45047 0.92 LMNA (0.51) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL45046 0.92 LMNA (0.51) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL18059167 0.92 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL40061 0.92 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL44888 0.92 CTSS (0.45) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL46886 0.92 TAOK1 (0.44) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL40200 0.91 KMT2A (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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