SCHEMBL6002086

SCHEMBL6002086

CC(C)OCCOc1ccc(NC(=O)c2cccc(C(=O)C(C)(N)CCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
EPHX2 P34913 3/20 0.41
SCD O00767 1/20 0.41
BRAF P15056 7/20 0.40
RAF1 P04049 6/20 0.40
LCK P06239 2/20 0.39
MAPK14 Q16539 2/20 0.39
LMNA P02545 1/20 0.38
TRPV4 Q9HBA0 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
SCHEMBL15432668 0.89 SLC34A2 (0.48) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46970 0.88 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46734 0.86 SLC34A2 (0.59) SLC34A2HTR2AKCNH2SCDBRAF
SCHEMBL47765 0.85 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL5998740 0.85 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46989 0.85 SLC34A2 (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46683 0.84 SLC34A2 (0.45) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL46773 0.83 SLC34A2 (0.45) SLC34A2HTR2AKCNH2KDM1AHDAC1
SCHEMBL5999589 0.82 SLC34A2 (0.44) SLC34A2HTR2AKCNH2SCDBRAF
SCHEMBL5998372 0.82 BRAF (0.46) SLC34A2HTR2AKCNH2KDM1AHDAC1

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