SCHEMBL44879

SCHEMBL44879

COC(=O)c1cccc(N2CCCCC2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 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
SCHEMBL28044566 0.81 SIRT6 (0.41) GAAHPGDALDH1A1KMT2AKDM4E
SCHEMBL29040801 0.75 GAA (0.46) GAATP53HPGDALDH1A1KMT2A
SCHEMBL4675145 0.75 L3MBTL1 (0.38) GAAHPGDALDH1A1KMT2AL3MBTL1
SCHEMBL5743752 0.74 ALDH1A1 (0.66) GAATP53HPGDALDH1A1KMT2A
SCHEMBL27847116 0.73 GAA (0.42) GAAHPGDALDH1A1KMT2AMEN1
SCHEMBL28338280 0.73 HPGD (0.50) GAAHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4203044 0.73 ALDH1A1 (0.64) GAATP53HPGDALDH1A1KMT2A
SCHEMBL28551779 0.73 KMT2A (0.55) GAATP53HPGDALDH1A1KMT2A
SCHEMBL29181100 0.72 GAA (0.46) GAATP53HPGDALDH1A1KMT2A
SCHEMBL27960876 0.71 HPGD (0.39) GAAHPGDALDH1A1KMT2AKDM4E

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