SCHEMBL2729686

SCHEMBL2729686

CN(CCOCCOCCOCCC(=O)N1CCN(CCOCCO)CC1)C(=O)Cc1cccc(SCc2cccc(Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)N[C@H]4CCCc5ccccc54)ccn3)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.33
CTSS P25774 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1A P08908 1/20 0.30
TMEM97 Q5BJF2 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
SCHEMBL2729689 1.00 BDKRB1 (0.33) BDKRB1CTSSMEN1KMT2AALDH1A1
SCHEMBL6001352 0.95 BDKRB1 (0.34) BDKRB1CTSSMEN1KMT2AALDH1A1
SCHEMBL44689 0.85 SLC34A2 (0.39) BDKRB1CTSSMEN1KMT2AALDH1A1
SCHEMBL44690 0.85 SLC34A2 (0.39) BDKRB1CTSSMEN1KMT2AALDH1A1
SCHEMBL18482347 0.84 SLC34A2 (0.35)
SCHEMBL46828 0.84 CTSS (0.36) CTSSMEN1KMT2AALDH1A1KDM4E
SCHEMBL18482345 0.79 SLC34A2 (0.36) BDKRB1TAOK1TAOK3
SCHEMBL19580050 0.79 CTSS (0.39) CTSSMEN1KMT2AALDH1A1KDM4E
SCHEMBL6002832 0.79 CTSS (0.39) CTSSMEN1KMT2AALDH1A1KDM4E
SCHEMBL6001542 0.77 SLC34A2 (0.41) BDKRB1MEN1KMT2AALDH1A1KDM4E

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
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