SCHEMBL46989

SCHEMBL46989

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCSCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.46
BRAF P15056 10/20 0.46
RAF1 P04049 8/20 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 0.39
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 0.38
EPHX2 P34913 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 0.94 SLC34A2 (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL5998740 0.94 SLC34A2 (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46683 0.93 SLC34A2 (0.45) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46773 0.91 SLC34A2 (0.45) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL5998372 0.91 BRAF (0.46) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL6000194 0.89 SLC34A2 (0.43) SLC34A2BRAFRAF1TRPV4HTR2A
SCHEMBL15432691 0.89 SLC34A2 (0.47) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46734 0.88 SLC34A2 (0.59) SLC34A2BRAFRAF1TRPV4HTR2A
SCHEMBL5999589 0.88 SLC34A2 (0.44) SLC34A2BRAFRAF1TRPV4HTR2A
SCHEMBL6001897 0.88 BRAF (0.43) SLC34A2BRAFRAF1KDM1AHDAC1

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