SCHEMBL46446

SCHEMBL46446

COc1c(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)cccc1C(=O)C(C)(N)CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.42
BRAF P15056 6/20 0.41
RAF1 P04049 4/20 0.41
SCD O00767 1/20 0.40
KDM1A O60341 2/20 0.38
HDAC1 Q13547 2/20 0.38
LCK P06239 3/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 2/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
CSF1R P07333 1/20 0.37
DAPK1 P53355 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMYD2 Q9NRG4 1/20 0.37
TRPV4 Q9HBA0 2/20 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 0.91 SLC34A2 (0.46) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL15432534 0.89 SLC34A2 (0.43) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL6001897 0.89 BRAF (0.43) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL5998372 0.88 BRAF (0.46) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL46989 0.86 SLC34A2 (0.46) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL5998740 0.86 SLC34A2 (0.46) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL46683 0.85 SLC34A2 (0.45) SLC34A2BRAFRAF1SCDKDM1A
SCHEMBL5998993 0.84 BRAF (0.48) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL19595974 0.83 BRAF (0.49) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL6002496 0.83 BRAF (0.47) BRAFRAF1SCDLCKMAPK14

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