SCHEMBL28298923

SCHEMBL28298923

CCc1nn(C(=O)OC(C)(C)C)c2cccc(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR1H2 P55055 2/20 0.34
FAAH O00519 1/20 0.34
UCHL1 P09936 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR4 P46093 1/20 0.32
GRM5 P41594 1/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 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
SCHEMBL3606807 0.85 MAP2K4 (0.40) MAP2K4L3MBTL1KDM4EALDH1A1NR1H2
SCHEMBL16724831 0.82 MAP2K4 (0.39) MAP2K4L3MBTL1KDM4EALDH1A1NR1H2
SCHEMBL28164583 0.81 MAP2K4 (0.43) MAP2K4L3MBTL1KDM4EALDH1A1NR1H2
SCHEMBL12181193 0.79 L3MBTL1 (0.45) MAP2K4L3MBTL1CHRM2CHRM4CHRM1
SCHEMBL31362222 0.79 ELANE (0.38) MAP2K4KDM4EALDH1A1NR1H2UCHL1
SCHEMBL15149187 0.77 NPC1 (0.38) MAP2K4L3MBTL1ALDH1A1NPC1HTT
SCHEMBL10967 0.75 PDGFRA (0.44) MAP2K4FAAHP2RX3ELANE
SCHEMBL14773304 0.75 ELANE (0.43) MAP2K4ELANE
SCHEMBL29793615 0.74 NR1H2 (0.43) NR1H2UCHL1CHRM2CHRM4CHRM1
SCHEMBL28817783 0.74 NR1H2 (0.43) NR1H2UCHL1CHRM2CHRM4CHRM1

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-105801550-B Novel chromene kinase modulator 理森制药股份公司 2019-06-14 CN disclosed