SCHEMBL6001897

SCHEMBL6001897

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.43
RAF1 P04049 5/20 0.43
SLC34A2 O95436 1/20 0.42
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
TRPV4 Q9HBA0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
LCK P06239 1/20 0.38
MAPK14 Q16539 1/20 0.38
GLS O94925 1/20 0.37
SCD O00767 1/20 0.37
STAT6 P42226 1/20 0.37

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 0.93 SLC34A2 (0.46) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL5998372 0.90 BRAF (0.46) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL46446 0.89 SLC34A2 (0.42) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL15432532 0.88 SLC34A2 (0.43) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL5998740 0.88 SLC34A2 (0.46) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL46989 0.88 SLC34A2 (0.46) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL16804643 0.87 BRAF (0.43) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL46683 0.87 SLC34A2 (0.45) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL5998993 0.86 BRAF (0.48) BRAFRAF1SLC34A2KDM1AHDAC1
SCHEMBL19595974 0.85 BRAF (0.49) BRAFRAF1SLC34A2KDM1AHDAC1

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