SCHEMBL19595802

SCHEMBL19595802

CCN(CC)c1ccc(NC(=O)c2cccc(C=O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.67
MLYCD O95822 1/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40

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
SCHEMBL40155 0.91 SLC34A2 (0.72) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL40279 0.90 SLC34A2 (0.69) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL46753 0.89 SLC34A2 (0.70) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL46784 0.89 SLC34A2 (0.70) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL40611 0.87 SLC34A2 (0.68) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL46802 0.86 SLC34A2 (0.66) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL10274256 0.85 SLC34A2 (0.74) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL15432786 0.84 SLC34A2 (0.74) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL16355227 0.84 SLC34A2 (0.74) SLC34A2MLYCDROCK2ROCK1CYP2C19
SCHEMBL15432793 0.84 SLC34A2 (0.74) SLC34A2MLYCDROCK2ROCK1CYP2C19

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 disclosed