SCHEMBL19580004

SCHEMBL19580004

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.52
HDAC1 Q13547 8/20 0.45
KDM1A O60341 7/20 0.45
PSMD14 O00487 1/20 0.41
STAMBP O95630 1/20 0.41
COPS5 Q92905 1/20 0.41
PPARG P37231 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PARP1 P09874 1/20 0.38

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 0.96 KDM1A (0.51) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579946 0.96 SLC34A2 (0.51) SLC34A2HDAC1KDM1ATRPV1
SCHEMBL19579952 0.96 SLC34A2 (0.49) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579947 0.96 SLC34A2 (0.53) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL46688 0.94 SLC34A2 (0.53) SLC34A2HDAC1KDM1APPARG
SCHEMBL19579960 0.94 SLC34A2 (0.49) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579948 0.94 SLC34A2 (0.54) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL6000400 0.93 SLC34A2 (0.48) SLC34A2HDAC1KDM1APSMD14STAMBP
SCHEMBL19579972 0.93 SLC34A2 (0.49) SLC34A2HDAC1KDM1A
SCHEMBL19580001 0.93 SLC34A2 (0.52) SLC34A2HDAC1KDM1APPARGROCK2

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