SCHEMBL5806478

SCHEMBL5806478

C[C@H](NC(=O)OC(C)(C)C)c1nnc(C(C)(C)C)o1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
TSHR P16473 5/20 0.65
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ATM Q13315 3/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 4/20 0.50
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.46
LIPG Q9Y5X9 1/20 0.44
HTT P42858 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
SCHEMBL5806483 1.00 KMT2A (0.67) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL13211186 0.89 KMT2A (0.64) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL3016463 0.89 KMT2A (0.64) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL16829044 0.84 KMT2A (0.68) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL21048453 0.84 KMT2A (0.68) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL8496628 0.82 KMT2A (0.47) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL13299867 0.82 KMT2A (0.47) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL13319545 0.78 ALDH1A1 (0.62) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL19502792 0.77 KMT2A (0.60) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL19502791 0.77 KMT2A (0.60) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1

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-2006030211-A2 ACYCLIC SULPHONAMIDES VERNALIS (R & D) LIMITED (GB) 2006-03-23 WO disclosed