SCHEMBL46974

SCHEMBL46974

COCCOc1ccc(NC(=O)c2cccc(CSCCC(=O)I)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC34A2 O95436 1/20 0.64
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ GPR52 Q9Y2T5 2/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MLYCD O95822 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL5999829 0.94 SLC34A2 (0.70) SLC34A2ROCK2ROCK1GPR52MAPK14
SCHEMBL46730 0.88 SLC34A2 (0.70) SLC34A2ROCK2ROCK1GPR52MAPK14
SCHEMBL46719 0.87 SLC34A2 (0.72) SLC34A2ROCK2ROCK1GPR52MAPK14
SCHEMBL40027 0.86 SLC34A2 (0.69) SLC34A2ROCK2ROCK1MAPK14HTT
SCHEMBL46671 0.85 SLC34A2 (0.67) SLC34A2ROCK2ROCK1MAPK14HTT
SCHEMBL46448 0.85 SLC34A2 (0.69) SLC34A2ROCK2ROCK1MAPK14HTT
SCHEMBL40087 0.85 SLC34A2 (0.61) SLC34A2ROCK2ROCK1GPR52MAPK14
SCHEMBL46672 0.84 SLC34A2 (0.68) SLC34A2ROCK2ROCK1MAPK14MLYCD
SCHEMBL46450 0.84 SLC34A2 (0.79) SLC34A2ROCK2ROCK1GPR52MAPK14
SCHEMBL39668 0.83 SLC34A2 (0.64) SLC34A2ROCK2ROCK1GPR52MAPK14

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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — WO disclosed
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