SCHEMBL39922

SCHEMBL39922

Nc1ccc(N2CCCCC2)cc1-c1cc(CCCc2ccccc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
S100B P04271 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELOVL1 Q9BW60 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
IP6K1 Q92551 1/20 0.37
AGXT P21549 1/20 0.37
KIF11 P52732 2/20 0.37
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL15444461 0.87 ELOVL1 (0.43) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL2733833 0.81 NPC1 (0.44) MAPTALDH1A1LMNAALOX15TDP1
SCHEMBL19595674 0.78 MAPT (0.40) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL19595872 0.77 ALKBH5 (0.42) ALDH1A1GAAPOLB
SCHEMBL40085 0.76 ALDH1A1 (0.36) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL15432543 0.75 KIF11 (0.34) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL11390001 0.74 SIGMAR1 (0.47) ALOX15SIGMAR1NPC1SMN1; SMN2
SCHEMBL6000697 0.74 HDAC1 (0.34) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL40451 0.69 KDM4E (0.52) MAPTS100BALDH1A1MAPK1HTT
SCHEMBL16502197 0.68 NR3C2 (0.51) ALDH1A1ALOX15SIGMAR1NPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-A1 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