SCHEMBL29952099

SCHEMBL29952099

CC(C)(C)OC(=O)n1nc(B(O)O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.38
ELANE P08246 9/20 0.37
F2 P00734 3/20 0.37
PLAU P00749 3/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL26204125 0.82 ELANE (0.40) MAP2K4ELANE
SCHEMBL8216089 0.81 ELANE (0.52) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL5822952 0.80 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL7016168 0.80 L3MBTL1 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL28157040 0.80 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL30438051 0.80 MAP2K4 (0.47) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL155708 0.80 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL2674135 0.80 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL29626660 0.80 MAP2K4 (0.44) MAP2K4CHRM2CHRM4CHRM1CHRM3
SCHEMBL2859991 0.79 ELANE (0.49) MAP2K4CHRM2CHRM4CHRM1CHRM3

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