SCHEMBL19579988

SCHEMBL19579988

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(-n4cccn4)c3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.49
KLKB1 P03952 3/20 0.39
KLK1 P06870 2/20 0.39
KDM1A O60341 3/20 0.39
HDAC1 Q13547 3/20 0.39
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 2/20 0.39
PI4KB Q9UBF8 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 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
SCHEMBL6000400 0.95 SLC34A2 (0.48) SLC34A2KLKB1KLK1KDM1AHDAC1
SCHEMBL19579947 0.94 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19580004 0.90 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579978 0.89 SLC34A2 (0.51) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579973 0.89 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19580001 0.87 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579946 0.87 SLC34A2 (0.51) SLC34A2KDM1AHDAC1LMNA
SCHEMBL19579952 0.87 SLC34A2 (0.49) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL45535 0.87 SLC34A2 (0.64) SLC34A2ROCK2ROCK1LMNAKDM4E
SCHEMBL46817 0.87 KDM1A (0.51) SLC34A2KDM1AHDAC1MAPK1AURKA

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