SCHEMBL19579960

SCHEMBL19579960

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 2/20 0.49
HDAC1 Q13547 6/20 0.40
KDM1A O60341 5/20 0.40
NTRK1 P04629 1/20 0.40
SMYD2 Q9NRG4 2/20 0.38
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
PPARG P37231 1/20 0.37
ALK Q9UM73 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL19579972 0.94 SLC34A2 (0.49) SLC34A2HDAC1KDM1AKDM4ENPC1
SCHEMBL19580004 0.94 SLC34A2 (0.52) SLC34A2HDAC1KDM1APPARGROCK2
SCHEMBL19579952 0.93 SLC34A2 (0.49) SLC34A2HDAC1KDM1APPARGROCK2
SCHEMBL19580005 0.92 SLC34A2 (0.52) SLC34A2HDAC1KDM1AALK
SCHEMBL19579946 0.91 SLC34A2 (0.51) SLC34A2HDAC1KDM1AALKPOLB
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2HDAC1KDM1ASMYD2PPARG
SCHEMBL46817 0.91 KDM1A (0.51) SLC34A2HDAC1KDM1ANTRK1PSMD14
SCHEMBL19579978 0.90 SLC34A2 (0.51) SLC34A2HDAC1KDM1APPARGROCK2
SCHEMBL19579948 0.89 SLC34A2 (0.54) SLC34A2HDAC1KDM1AALKROCK2
SCHEMBL46688 0.89 SLC34A2 (0.53) SLC34A2HDAC1KDM1APPARGSMN1; 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