SCHEMBL19579999

SCHEMBL19579999

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(CN4CCOCC4)c3)ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
HDAC1 Q13547 4/20 0.43
KDM1A O60341 3/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
EGFR P00533 3/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 1/20 0.38
CHRM3 P20309 2/20 0.38
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ROCK2 O75116 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
SCHEMBL46817 0.93 KDM1A (0.51) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19580004 0.91 SLC34A2 (0.52) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579973 0.88 SLC34A2 (0.53) SLC34A2HDAC1KDM1ALMNASMN1; SMN2
SCHEMBL19579978 0.88 SLC34A2 (0.51) SLC34A2HDAC1KDM1ACHRM3ROCK2
SCHEMBL19579987 0.87 SLC34A2 (0.48) SLC34A2HDAC1KDM1ALMNAPSMD14
SCHEMBL19580001 0.87 SLC34A2 (0.52) SLC34A2HDAC1KDM1ALMNAROCK2
SCHEMBL19579952 0.87 SLC34A2 (0.49) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579946 0.87 SLC34A2 (0.51) SLC34A2HDAC1KDM1ALMNAMAPT
SCHEMBL16808310 0.86 SLC34A2 (0.43) SLC34A2HDAC1KDM1ALMNASMN1; SMN2

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