SCHEMBL28868331

SCHEMBL28868331

O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CA12 O43570 2/20 0.63
CA9 Q16790 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 1/20 0.59
PDE6D O43924 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
PSMD14 O00487 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL299841 0.86 ALDH1A1 (0.71) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL20735193 0.86 ALDH1A1 (0.82) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL30999722 0.84 KMT2A (0.62) ALDH1A1CA12CA9CA1CA2
SCHEMBL361483 0.83 POLB (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL293983 0.83 POLB (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL30721003 0.83 POLB (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL29354753 0.83 POLB (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL18103406 0.83 POLB (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL30999724 0.81 ALDH1A1 (0.47) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL20735204 0.81 ALDH1A1 (0.74) ALDH1A1CA12CA9RXFP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110591529-B Photochromic coating based on organic-inorganic hybridization and preparation method thereof 浙江鱼童新材料股份有限公司 2021-08-17 CN claimed
CN-110591529-B Photochromic coating based on organic-inorganic hybridization and preparation method thereof 浙江鱼童新材料股份有限公司 2021-08-17 CN disclosed
CN-110591529-A Photochromic coating based on organic-inorganic hybridization and preparation method thereof 嘉兴菱凡贸易有限公司 2019-12-20 CN disclosed
CN-104945322-B Detect the compound and preparation method thereof of tumor hypoxia 华东理工大学 2019-01-08 CN disclosed