SCHEMBL19579968

SCHEMBL19579968

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc4c(c3)OCC4)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
KDM1A O60341 3/20 0.39
HDAC1 Q13547 3/20 0.39
ROCK2 O75116 14/20 0.39
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19579987 0.92 SLC34A2 (0.48) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL19580015 0.91 SLC34A2 (0.49) SLC34A2ALDH1A1LMNAHTTNPSR1
SCHEMBL19579947 0.90 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL19580004 0.90 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL46817 0.89 KDM1A (0.51) SLC34A2KDM1AHDAC1PSMD14STAMBP
SCHEMBL19580001 0.87 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579978 0.87 SLC34A2 (0.51) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579952 0.87 SLC34A2 (0.49) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL19579973 0.87 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579946 0.87 SLC34A2 (0.51) SLC34A2KDM1AHDAC1LMNA

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