SCHEMBL46734

SCHEMBL46734

CCN(CC)c1ccc(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 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
BRAF P15056 8/20 0.41
RAF1 P04049 4/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCD O00767 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
LCK P06239 2/20 0.40
MAPK14 Q16539 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM3 P20309 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
SCHEMBL47765 0.89 SLC34A2 (0.46) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL15432551 0.89 SLC34A2 (0.59) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL5998740 0.88 SLC34A2 (0.46) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46989 0.88 SLC34A2 (0.46) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46683 0.87 SLC34A2 (0.45) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46970 0.87 SLC34A2 (0.46) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46773 0.87 SLC34A2 (0.45) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL6002086 0.86 SLC34A2 (0.47) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL46512 0.86 SLC34A2 (0.56) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL5999589 0.86 SLC34A2 (0.44) SLC34A2BRAFRAF1HTR2AKCNH2

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