SCHEMBL19579969

SCHEMBL19579969

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3F)ccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.52
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
EPHX1 P07099 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
TLR9 Q9NR96 1/20 0.36
EPHX2 P34913 5/20 0.35
PPARG P37231 3/20 0.35
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
KDM1A O60341 2/20 0.34
HDAC1 Q13547 2/20 0.34
SCN9A Q15858 3/20 0.33
SCN5A Q14524 1/20 0.33
GRK2 P25098 1/20 0.33

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
SCHEMBL19579982 0.90 SLC34A2 (0.53) SLC34A2TRPV1PPARGRAF1BRAF
SCHEMBL19579991 0.89 SLC34A2 (0.54) SLC34A2CRHBPCRHR2TRPV1RAF1
SCHEMBL45535 0.88 SLC34A2 (0.64) SLC34A2TRPV1TLR9RAF1BRAF
SCHEMBL19580034 0.88 SLC34A2 (0.59) SLC34A2TLR9RAF1BRAFKDM1A
SCHEMBL19579993 0.88 SLC34A2 (0.48) SLC34A2PPARGKDM1AHDAC1
SCHEMBL19579951 0.88 SLC34A2 (0.53) SLC34A2TRPV1KDM1AHDAC1
SCHEMBL19580022 0.88 SLC34A2 (0.50) SLC34A2CRHBPCRHR2EPHX2PPARG
SCHEMBL19580036 0.88 SLC34A2 (0.48) SLC34A2PPARGRAF1BRAFKDM1A
SCHEMBL5999719 0.88 SLC34A2 (0.65) SLC34A2TRPV1TLR9RAF1BRAF
SCHEMBL19579933 0.87 SLC34A2 (0.56) SLC34A2CRHBPCRHR2RAF1BRAF

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