SCHEMBL6002496

SCHEMBL6002496

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.47
RAF1 P04049 10/20 0.47
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
STAT6 P42226 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
LMNA P02545 1/20 0.40
SCD O00767 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 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 0.92 SLC34A2 (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL5998771 0.90 BRAF (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL6000389 0.89 BRAF (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL5998372 0.88 BRAF (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL15432674 0.88 BRAF (0.47) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL46989 0.87 SLC34A2 (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL5998740 0.87 SLC34A2 (0.46) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL46683 0.86 SLC34A2 (0.45) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL6001897 0.85 BRAF (0.43) BRAFRAF1LCKMAPK14HTR2A
SCHEMBL6000194 0.84 SLC34A2 (0.43) BRAFRAF1LCKMAPK14HTR2A

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 1 patent. 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