SCHEMBL18059161

SCHEMBL18059161

O=C(O)c1cccc(SCc2cccc(Cc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
SLC34A2 O95436 1/20 0.41
BRAF P15056 4/20 0.39
MLYCD O95822 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ROCK2 O75116 1/20 0.38
RAF1 P04049 2/20 0.37
USP2 O75604 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CCR1 P32246 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
SCHEMBL18059177 0.93 SLC34A2 (0.46) KDM4CSLC34A2BRAFMLYCDMMP13
SCHEMBL18059162 0.90 SLC34A2 (0.49) SLC34A2BRAFMLYCDKDM4EROCK2
SCHEMBL39793 0.90 SLC34A2 (0.52) KDM4CSLC34A2BRAFMLYCDMMP13
SCHEMBL46796 0.90 SLC34A2 (0.52) KDM4CSLC34A2BRAFMLYCDMMP13
SCHEMBL47715 0.85 SLC34A2 (0.52) SLC34A2BRAFKDM4EROCK2RAF1
SCHEMBL19579980 0.84 SLC34A2 (0.52) KDM4CSLC34A2BRAFMLYCDMMP13
SCHEMBL19579944 0.83 SLC34A2 (0.52) KDM4CSLC34A2BRAFKDM4EROCK2
SCHEMBL46782 0.83 SLC34A2 (0.51) SLC34A2BRAFMLYCDKDM4EROCK2
SCHEMBL46797 0.83 SLC34A2 (0.52) SLC34A2BRAFKDM4EROCK2RAF1
SCHEMBL39722 0.82 SLC34A2 (0.57) KDM4CSLC34A2BRAFMLYCDMMP13

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed