SCHEMBL40085

SCHEMBL40085

Nc1ccc(N2CCCCC2)cc1-c1cc(C(CC=O)c2ccccc2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
S100B P04271 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IP6K1 Q92551 1/20 0.36
HDAC1 Q13547 1/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 5/20 0.34
ADORA1 P30542 5/20 0.34
GFER P55789 1/20 0.34
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL39922 0.76 MAPT (0.40) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL15444461 0.73 ELOVL1 (0.43) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL15444400 0.73 RAF1 (0.38) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL2733833 0.71 NPC1 (0.44) ALDH1A1MAPTLMNAALOX15TDP1
SCHEMBL19595674 0.70 MAPT (0.40) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL6000697 0.69 HDAC1 (0.34) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL18482258 0.68 KDM4E (0.41) ALDH1A1GAAPOLB
SCHEMBL40451 0.68 KDM4E (0.52) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL15432543 0.67 KIF11 (0.34) ALDH1A1MAPK1MAPTHTTS100B
SCHEMBL19595872 0.67 ALKBH5 (0.42) ALDH1A1GAAPOLBMAP4K4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed