SCHEMBL1696339

SCHEMBL1696339

O=C(Nc1ncc(-c2cccc(C(F)(F)F)c2)s1)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
SIRT6 Q8N6T7 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SERPINE1 P05121 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
STAT3 P40763 1/20 0.41
POLQ O75417 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDR P35968 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1697043 0.85 MEN1 (0.47) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL10226318 0.85 MEN1 (0.49) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL40327 0.84 KMT2A (0.53) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1696908 0.84 SERPINE1 (0.43) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL45060 0.80 SERPINE1 (0.46) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL10225103 0.78 USP30 (0.49) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL45810 0.78 SERPINE1 (0.46) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL45214 0.77 SERPINE1 (0.47) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL15432997 0.76 SIRT6 (0.50) MEN1KMT2AMAPTLMNASIRT6
SCHEMBL16691234 0.75 SERPINE1 (0.44) MEN1KMT2AMAPTLMNASIRT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590655-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed