SCHEMBL28520232

SCHEMBL28520232

CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(OCCN3CCCCC3)c(OCCN3CCCCC3)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
MCHR1 Q99705 3/20 0.45
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
TNF P01375 2/20 0.42
DDR2 Q16832 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CIT O14578 1/20 0.41
MUSK O15146 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41

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
SCHEMBL23045050 0.90 KDM4E (0.51) MAPK14MCHR1
SCHEMBL4252948 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL23045048 0.81 HTT (0.51) MAPK14
SCHEMBL5257397 0.79 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6162405 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6160279 0.77 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599976 0.76 MAPK14 (0.61) MAPK14MCHR1MAPK13MAPK12MAPK11
SCHEMBL23045029 0.74 HDAC1 (0.41) MEN1KMT2ACDK8
Hydrochloric Acid SCHEMBL6250129 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL14272143 0.73 MAPK14 (0.75) MAPK14MCHR1MAPK13MAPK12MAPK11

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-110526881-B Naphthylamine compound and biologically acceptable salt thereof, and preparation method and application thereof 河南省锐达医药科技有限公司 2020-09-22 CN disclosed