SCHEMBL19580001

SCHEMBL19580001

Cc1ccc(CNC(=O)c2ccnc(-c3cc(N4CCCCC4)ccc3NC(=O)c3cccc(CSCCC(=O)O)c3)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.52
HDAC1 Q13547 8/20 0.39
KDM1A O60341 7/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 2/20 0.38
SMYD2 Q9NRG4 1/20 0.37
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL19579946 0.93 SLC34A2 (0.51) SLC34A2HDAC1KDM1ALMNAALK
SCHEMBL19579973 0.93 SLC34A2 (0.53) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19580004 0.93 SLC34A2 (0.52) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579947 0.93 SLC34A2 (0.53) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19580036 0.91 SLC34A2 (0.48) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579952 0.90 SLC34A2 (0.49) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579978 0.90 SLC34A2 (0.51) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL46688 0.90 SLC34A2 (0.53) SLC34A2HDAC1KDM1ABRAFPPARG
SCHEMBL19579948 0.90 SLC34A2 (0.54) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL46817 0.90 KDM1A (0.51) SLC34A2HDAC1KDM1ARAF1BRAF

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