SCHEMBL29168044

SCHEMBL29168044

C[C@H](NC(=O)OC(C)(C)C)c1ccn(C(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TRPA1 O75762 2/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ CTSK P43235 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ RORC P51449 1/20 0.34

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
SCHEMBL29168215 1.00 KMT2A (0.40) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL29168047 1.00 KMT2A (0.40) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL29168190 0.87 LMNA (0.38) KMT2ATSHRHSD17B10MAPTTRPA1
SCHEMBL30133680 0.87 LMNA (0.38) KMT2ATSHRHSD17B10MAPTTRPA1
SCHEMBL29168188 0.87 LMNA (0.38) KMT2ATSHRHSD17B10MAPTTRPA1
SCHEMBL30133692 0.84 MAPK1 (0.39) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL29168065 0.84 MAPK1 (0.39) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL29168067 0.84 MAPK1 (0.39) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL19403209 0.82 KMT2A (0.42) KMT2ATSHRHSD17B10MAPTATM
SCHEMBL19403086 0.82 KMT2A (0.42) KMT2ATSHRHSD17B10MAPTATM

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
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 — — CN disclosed
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