SCHEMBL16355208

SCHEMBL16355208

O=C(CCOCCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1)NCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
BRAF P15056 8/20 0.41
RAF1 P04049 4/20 0.41
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.37
KDM1A O60341 3/20 0.37
HDAC1 Q13547 3/20 0.37
LCK P06239 1/20 0.36
MAPK14 Q16539 1/20 0.36
SCD O00767 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL15420838 0.99 SLC34A2 (0.60) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL39828 0.94 SLC34A2 (0.52) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL16355209 0.91 SLC34A2 (0.62) SLC34A2BRAFRAF1
SCHEMBL16355210 0.91 SLC34A2 (0.60) SLC34A2BRAFRAF1HTR2AKCNH2
SCHEMBL16355207 0.90 SLC34A2 (0.65) SLC34A2BRAFRAF1
SCHEMBL15432752 0.90 SLC34A2 (0.63) SLC34A2BRAFRAF1
SCHEMBL16355215 0.90 SLC34A2 (0.70) SLC34A2BRAFRAF1KCNH2
SCHEMBL15432766 0.90 SLC34A2 (0.70) SLC34A2BRAFRAF1KCNH2
SCHEMBL15432751 0.90 SLC34A2 (0.65) SLC34A2BRAFRAF1
SCHEMBL15432747 0.90 SLC34A2 (0.61) SLC34A2BRAFRAF1HTR2AKCNH2

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
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed