SCHEMBL29509484

SCHEMBL29509484

Cc1cccc(N2NC(=O)N(c3cccc(C)c3)N2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
HSP90AA1 P07900 1/20 0.47
MGLL Q99685 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB1 P08588 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7603884 0.74 ELANE (0.43) ALOX5MGLLMAPTADRB1ALDH1A1
SCHEMBL29509542 0.74 GAA (0.41) ALOX5MGLLL3MBTL1MAPTALDH1A1
SCHEMBL9022967 0.69 L3MBTL1 (0.50) ALOX5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL16004434 0.67 HSP90AA1 (0.59) ALOX5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL11466089 0.64 HSP90AA1 (0.66) ALOX5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL139864 0.64 MGLL (1.00) HSP90AA1MGLLL3MBTL1MAPTHSD17B10
SCHEMBL14884371 0.64 HSP90AA1 (0.55) ALOX5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL7536266 0.64 ALOX5 (1.00) ALOX5L3MBTL1
SCHEMBL6214111 0.64 HSP90AA1 (0.46) ALOX5HSP90AA1MGLLL3MBTL1MAPT
SCHEMBL29625915 0.64 LMNA (0.50) ALOX5HSP90AA1MGLLL3MBTL1MAPT

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-112574133-B Synthesis method of 1, 3-diaryl substituted tetrazolone inner salt 江西理工大学 2022-05-06 CN disclosed