SCHEMBL45351

SCHEMBL45351

NC(=O)c1cccc(C(=O)NCCOCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
F10 P00742 2/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CA2 P00918 1/20 0.45
MAPK14 Q16539 2/20 0.43
RET P07949 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK9 P45984 1/20 0.43
CDK8 P49336 1/20 0.43
PKN2 Q16513 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL11425652 0.93 SMN1; SMN2 (0.65) SMN1; SMN2F10GAAMAPTHPGD
SCHEMBL15259124 0.90 SMN1; SMN2 (0.50) SMN1; SMN2F10CA2HDAC1HDAC2
SCHEMBL39896 0.87 SMN1; SMN2 (0.62) SMN1; SMN2F10GAAMAPTHPGD
SCHEMBL3650164 0.85 SMN1; SMN2 (0.56) SMN1; SMN2GAAMAPK14HPGDHDAC3
SCHEMBL40224 0.84 SMN1; SMN2 (0.55) SMN1; SMN2GAAMAPTHPGDALDH1A1
SCHEMBL13593317 0.83 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHPGDALDH1A1KMT2A
SCHEMBL3499586 0.82 SMN1; SMN2 (0.83) SMN1; SMN2GAAHPGDNPC1RAB9A
SCHEMBL8544019 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CA2HDAC3HDAC4HDAC1
SCHEMBL21142116 0.81 SMN1; SMN2 (0.66) SMN1; SMN2F10GAAMAPTCA2
SCHEMBL15071686 0.81 GAA (0.69) SMN1; SMN2GAAMAPTHPGDNPC1

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-2590965-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed