SCHEMBL19579996

SCHEMBL19579996

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.56
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
PARP1 P09874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MAPT P10636 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 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
SCHEMBL45535 0.93 SLC34A2 (0.64) SLC34A2RAF1BRAFKDM4EROCK2
SCHEMBL5999719 0.93 SLC34A2 (0.65) SLC34A2RAF1BRAFKDM4EROCK2
SCHEMBL46478 0.92 SLC34A2 (0.50) SLC34A2RAF1BRAFNAMPTKDM4E
SCHEMBL39856 0.91 SLC34A2 (0.54) SLC34A2RAF1BRAFKDM4EMAPT
SCHEMBL19580034 0.91 SLC34A2 (0.59) SLC34A2RAF1BRAFROCK2ROCK1
SCHEMBL6000093 0.91 SLC34A2 (0.54) SLC34A2RAF1BRAFKDM4ENPSR1
SCHEMBL19579976 0.90 SLC34A2 (0.63) SLC34A2RAF1BRAFKDM4EROCK2
SCHEMBL46763 0.89 SLC34A2 (0.55) SLC34A2RAF1BRAFKDM4ENPSR1
SCHEMBL46430 0.89 SLC34A2 (0.47) SLC34A2RAF1BRAFKDM4ENPSR1
SCHEMBL6002055 0.89 SLC34A2 (0.51) SLC34A2RAF1BRAFKDM4ENPSR1

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP claimed