SCHEMBL1963340

SCHEMBL1963340

CN(C)c1ccc(C(C(=O)ON)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CNR2 P34972 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCZ Q05513 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL27352099 0.83 LMNA (0.41) ALDH1A1KMT2ALMNACTSSCTSK
SCHEMBL27756024 0.81 SRC (0.42) ALDH1A1KMT2ALMNAL3MBTL1ATM
SCHEMBL1925703 0.81 SRC (0.42) ALDH1A1KMT2ALMNAL3MBTL1ATM
SCHEMBL2599350 0.76 LMNA (0.45) ALDH1A1TSHRKMT2ALMNAL3MBTL1
SCHEMBL27696378 0.75 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10KMT2AGAA
Hydrochloric Acid SCHEMBL3529730 0.74 LMNA (0.44) ALDH1A1TSHRKMT2ALMNAL3MBTL1
SCHEMBL27280434 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10KMT2ALMNAGAA
SCHEMBL1820943 0.74 LMNA (0.46) ALDH1A1KMT2ALMNA
SCHEMBL4958199 0.73 KMT2A (0.45) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL1963341 0.72 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10KMT2AGAA

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-2509942-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES Johns Hopkins University (US) 2012-10-17 EP disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed