SCHEMBL18059182

SCHEMBL18059182

O=C(O)CCSCc1cccc(Cc2ccc(OCC(F)(F)F)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.55
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
MAPK14 Q16539 1/20 0.44
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GPR52 Q9Y2T5 3/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL40027 0.89 SLC34A2 (0.69) SLC34A2MAPTHTTMAPK14MLYCD
SCHEMBL18059153 0.84 SLC34A2 (0.49) SLC34A2MAPK14MLYCDLMNARAB9A
SCHEMBL46719 0.82 SLC34A2 (0.72) SLC34A2MAPK14MLYCDLMNARAB9A
SCHEMBL46730 0.82 SLC34A2 (0.70) SLC34A2MAPK14LMNARAB9AGPR52
SCHEMBL5999829 0.81 SLC34A2 (0.70) SLC34A2HTTMAPK14MLYCDLMNA
SCHEMBL46672 0.81 SLC34A2 (0.68) SLC34A2MAPK14MLYCDLMNARAB9A
SCHEMBL46671 0.81 SLC34A2 (0.67) SLC34A2MAPTHTTMAPK14MLYCD
SCHEMBL46448 0.81 SLC34A2 (0.69) SLC34A2MAPTHTTMAPK14MLYCD
SCHEMBL40087 0.80 SLC34A2 (0.61) SLC34A2MAPTHTTMAPK14MLYCD
SCHEMBL46670 0.80 SLC34A2 (0.68) SLC34A2MAPK14MLYCDLMNARAB9A

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