SCHEMBL47765

SCHEMBL47765

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.46
BRAF P15056 11/20 0.46
RAF1 P04049 7/20 0.46
KDM1A O60341 2/20 0.41
HDAC1 Q13547 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCD O00767 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5998372 0.96 BRAF (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL5998740 0.94 SLC34A2 (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46989 0.94 SLC34A2 (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46683 0.93 SLC34A2 (0.45) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL6001897 0.93 BRAF (0.43) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL6002496 0.92 BRAF (0.47) BRAFRAF1TRPV4HTR2AKCNH2
SCHEMBL46773 0.92 SLC34A2 (0.45) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46446 0.91 SLC34A2 (0.42) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL6000194 0.91 SLC34A2 (0.43) SLC34A2BRAFRAF1TRPV4HTR2A
SCHEMBL5999589 0.91 SLC34A2 (0.44) SLC34A2BRAFRAF1TRPV4HTR2A

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