SCHEMBL20046976

SCHEMBL20046976

CCOC(=O)c1cn(CCNC(=O)C(C)(C)C)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
GLA P06280 1/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TYMS P04818 1/20 0.41
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLS O94925 1/20 0.38

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
SCHEMBL12223728 0.80 ALDH1A1 (0.63) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL9502860 0.78 ALDH1A1 (0.62) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL23382244 0.77 ALDH1A1 (0.60) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL15931713 0.77 ALDH1A1 (0.60) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL12197486 0.77 ALDH1A1 (0.60) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL25333351 0.76 ALDH1A1 (0.56) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL16093587 0.76 ALDH1A1 (0.67) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL29224422 0.76 ALDH1A1 (0.59) ALDH1A1LMNAGLAMAPK1SMN1; SMN2
SCHEMBL26409868 0.75 CYP2C19 (0.42) ALDH1A1LMNAGLS
SCHEMBL21992355 0.75 MAPT (0.39) ALDH1A1TP53KDM4EMAPTGLS

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
WO-2018067615-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. (US) 2018-04-12 WO disclosed