SCHEMBL19579987

SCHEMBL19579987

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc4c(c3)OCCCO4)ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
ROCK2 O75116 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 2/20 0.37
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
COPS5 Q92905 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL19580015 0.95 SLC34A2 (0.49) SLC34A2LMNAALDH1A1NPSR1HTT
SCHEMBL19579968 0.92 SLC34A2 (0.47) SLC34A2KDM1AHDAC1LMNAALDH1A1
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL19580004 0.91 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2PSMD14
SCHEMBL46817 0.90 KDM1A (0.51) SLC34A2KDM1AHDAC1MAPK1PSMD14
SCHEMBL19580001 0.88 SLC34A2 (0.52) SLC34A2KDM1AHDAC1LMNAROCK2
SCHEMBL19579973 0.88 SLC34A2 (0.53) SLC34A2KDM1AHDAC1LMNAROCK2
SCHEMBL19579952 0.88 SLC34A2 (0.49) SLC34A2KDM1AHDAC1ROCK2MAPT
SCHEMBL19579978 0.88 SLC34A2 (0.51) SLC34A2KDM1AHDAC1ROCK2CHRM3
SCHEMBL19579946 0.88 SLC34A2 (0.51) SLC34A2KDM1AHDAC1LMNAMAPT

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