SCHEMBL6000389

SCHEMBL6000389

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(OCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.46
RAF1 P04049 7/20 0.46
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCD O00767 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CSF1R P07333 1/20 0.40
DAPK1 P53355 1/20 0.40
MAPK14 Q16539 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
LCK P06239 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
SCHEMBL47765 0.90 SLC34A2 (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL5998771 0.90 BRAF (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL19596314 0.90 BRAF (0.47) BRAFRAF1HTR2AKCNH2TRPV4
SCHEMBL6002496 0.89 BRAF (0.47) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL15432658 0.88 BRAF (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL5998372 0.86 BRAF (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL46989 0.84 SLC34A2 (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL5998740 0.84 SLC34A2 (0.46) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL46683 0.83 SLC34A2 (0.45) BRAFRAF1HTR2AKCNH2SCD
SCHEMBL6001897 0.83 BRAF (0.43) BRAFRAF1HTR2AKCNH2SCD

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