SCHEMBL29957231

SCHEMBL29957231

C[C@H](NC(=O)OC(C)(C)C)c1ncc(C=O)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.39
POLB P06746 1/20 0.39
CTSK P43235 3/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL29957881 1.00 KMT2A (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29951363 0.87 LMNA (0.48) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29957233 0.87 LMNA (0.48) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29952419 0.83 LMNA (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29952820 0.83 LMNA (0.51) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29954883 0.82 CTSK (0.44) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL29957138 0.82 CTSK (0.44) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL16492746 0.81 KMT2A (0.37) KMT2ATSHRHSD17B10ALDH1A1L3MBTL1
SCHEMBL15331693 0.80 FAAH (0.34) ALDH1A1LMNAATM
SCHEMBL19502752 0.78 KMT2A (0.50) 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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed