SCHEMBL46779

SCHEMBL46779

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TAOK1 Q7L7X3 1/20 0.43
CTSS P25774 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
AURKA O14965 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL15432657 0.87 ALDH1A1 (0.44) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL15420818 0.87 ALDH1A1 (0.44) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL46673 0.87 ALDH1A1 (0.44) TAOK3ALDH1A1TAOK1CTSSLMNA
Hydrochloric Acid SCHEMBL15421169 0.87 ALDH1A1 (0.43) TAOK3ALDH1A1TAOK1CTSSLMNA
Hydrochloric Acid SCHEMBL15421171 0.87 ALDH1A1 (0.43) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL5999241 0.86 ALDH1A1 (0.43) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL16355242 0.85 ALDH1A1 (0.42) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL6002748 0.85 ALDH1A1 (0.42) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL45046 0.84 LMNA (0.51) TAOK3ALDH1A1TAOK1CTSSLMNA
SCHEMBL45047 0.84 LMNA (0.51) TAOK3ALDH1A1TAOK1CTSSLMNA

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