SCHEMBL19579993

SCHEMBL19579993

Nc1ccccc1CNC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSCCC(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
HDAC1 Q13547 10/20 0.40
HDAC3 O15379 4/20 0.40
KDM1A O60341 4/20 0.36
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
SMYD2 Q9NRG4 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PPARG P37231 4/20 0.34
MAPK8 P45983 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
SCHEMBL19580036 0.93 SLC34A2 (0.48) SLC34A2HDAC1KDM1ASMYD2ROCK2
SCHEMBL19579962 0.92 SLC34A2 (0.48) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2HDAC1KDM1ASMYD2ROCK2
SCHEMBL19580004 0.91 SLC34A2 (0.52) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579952 0.90 SLC34A2 (0.49) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19579978 0.90 SLC34A2 (0.51) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19580022 0.89 SLC34A2 (0.50) SLC34A2HDAC1KDM1AROCK2ROCK1
SCHEMBL19595685 0.89 SLC34A2 (0.46) SLC34A2HDAC1
SCHEMBL19579983 0.89 SLC34A2 (0.46) SLC34A2
SCHEMBL19579973 0.88 SLC34A2 (0.53) SLC34A2HDAC1KDM1ASMYD2ROCK2

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