SCHEMBL45085

SCHEMBL45085

CN(CCN1CCCN(C(=O)OC(C)(C)C)CC1)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
AURKA O14965 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
VCP P55072 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
BDKRB1 P46663 2/20 0.35

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
SCHEMBL45084 1.00 CTSS (0.38) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL10274244 0.93 CTSS (0.38) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL45086 0.93 CTSS (0.38) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL2730904 0.91 ALDH1A1 (0.37) CTSSMEN1KMT2ALMNAGAA
SCHEMBL10290670 0.91 CTSS (0.39) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL2730536 0.87 CTSS (0.43) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL2730533 0.87 CTSS (0.43) CTSSTAOK1TAOK3MEN1KMT2A
SCHEMBL10274776 0.85 ALDH1A1 (0.38) CTSSMEN1KMT2ALMNAGAA
SCHEMBL2730905 0.85 ALDH1A1 (0.38) CTSSMEN1KMT2ALMNAGAA
SCHEMBL19579958 0.84 CTSS (0.41) CTSSTAOK1TAOK3MEN1KMT2A

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