SCHEMBL11204148

SCHEMBL11204148

C[C@H](Nc1cccc(N)c1)C([NH])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
DDX3X O00571 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9706327 0.85 ALDH1A1 (0.54) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL11441110 0.85 ALDH1A1 (0.54) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL3992101 0.85 ALDH1A1 (0.54) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL6225932 0.77 ALDH1A1 (0.52) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL7249243 0.77 ALDH1A1 (0.52) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL487356 0.76 ALDH1A1 (0.55) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL11441698 0.73 ALDH1A1 (0.49) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL21800089 0.73 MEN1 (0.48) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL29922510 0.73 MEN1 (0.48) ALDH1A1DDX3XSMN1; SMN2MAPTKDM4E
SCHEMBL520125 0.72 ALDH1A1 (0.66) ALDH1A1DDX3XSMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed