SCHEMBL28883313

SCHEMBL28883313

O=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.65
MAPK12 P53778 10/20 0.65
MAPK11 Q15759 10/20 0.65
MAPK14 Q16539 10/20 0.65
GCGR P47871 6/20 0.65
RAF1 P04049 4/20 0.63
MAPK9 P45984 1/20 0.62
NOX1 Q9Y5S8 1/20 0.60
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 2/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 2/20 0.59
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
BRAF P15056 1/20 0.57
ALOX5 P09917 1/20 0.57
MEN1 O00255 2/20 0.57
PTPN1 P18031 1/20 0.55

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
SCHEMBL12601196 0.93 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL28789580 0.87 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL5074753 0.87 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL12601824 0.86 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL16667652 0.85 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
Benzene SCHEMBL28852698 0.85 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL104130 0.85 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL12878801 0.84 ALOX5 (0.57) MAPK13MAPK12MAPK11MAPK14GCGR
Methane SCHEMBL3278320 0.83 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL27850480 0.83 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181068-B TPI derivative fluorescent probe and application thereof in preparation of copper ion detection reagent 南京师范大学 2023-10-27 CN disclosed
CN-115181068-A TPI derivative fluorescent probe and application thereof in preparation of copper ion detection reagent 南京师范大学 2022-10-14 CN disclosed