SCHEMBL29956191

SCHEMBL29956191

Cc1nn(C)c2cccc(B(O)O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.38
▸ EIF2AK2 P19525 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ XIAP P98170 1/20 0.34
▸ BIRC2 Q13490 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SLC9A1 P19634 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32

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
SCHEMBL12536276 0.77 MAPK13 (0.42) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL28159924 0.76 ALDH1A1 (0.51) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL27965003 0.76 MAPT (0.42) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL21863290 0.75 MAPT (0.55) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL31583268 0.74 MAPK13 (0.40) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL13106161 0.74 NR3C1 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL16506029 0.74 MAPK13 (0.40) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL26590131 0.74 MAPK13 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL26581194 0.72 TP53 (0.41) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL16417281 0.71 MAPK13 (0.38) MAPK13EIF2AK2MAPK12MAPK11MAPK14

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
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