SCHEMBL19595506

SCHEMBL19595506

COCCOCCOCCOCCOCCOCCOCCOCCOCc1cccc(C(=O)Nc2ccc(OC3CCC3)cc2-c2cc(C)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 2/20 0.38
PAX8 Q06710 1/20 0.38
ACSL1 P33121 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
SLC34A2 O95436 2/20 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
SCHEMBL19596014 0.91 SLC34A2 (0.38) KITFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL6000572 0.85 SLC34A2 (0.55) KITFLT3SLC34A2MAPK1EPHX2
SCHEMBL15432843 0.84 KMT2A (0.46) TSHRHTTKMT2AMEN1LMNA
SCHEMBL19580035 0.81 KIT (0.34) KITFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL6001503 0.77 SLC34A2 (0.44) SLC34A2EGFR
SCHEMBL19596069 0.77 SLC34A2 (0.41) KMT2ASLC34A2NR1H4
SCHEMBL47756 0.75 SLC34A2 (0.44) PDE4DKMT2ASLC34A2
SCHEMBL19595860 0.74 SLC34A2 (0.42) NPC1RAB9ASMN1; SMN2GAAPAX8
SCHEMBL16804649 0.72 SLC34A2 (0.55) SLC34A2LMNA
SCHEMBL19595875 0.71 SLC34A2 (0.46) NPC1RAB9ASMN1; SMN2GAAPAX8

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 disclosed