SCHEMBL28904610

SCHEMBL28904610

O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.87
MAPK12 P53778 8/20 0.87
MAPK11 Q15759 8/20 0.87
MAPK14 Q16539 8/20 0.87
ALOX5 P09917 7/20 0.87
TGFBR1 P36897 2/20 0.87
KDM4E B2RXH2 5/20 0.72
ALDH1A1 P00352 4/20 0.72
HPGD P15428 4/20 0.72
GLA P06280 3/20 0.72
GAA P10253 3/20 0.72
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.69
PTPN1 P18031 1/20 0.66
MAPT P10636 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
GFER P55789 1/20 0.64
GCGR P47871 7/20 0.64
PRKD3 O94806 2/20 0.64

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
SCHEMBL19868985 0.95 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL413667 0.93 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL29103864 0.92 KDM4E (0.83) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL2593317 0.88 KDM4E (0.91) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL12311111 0.88 KDM4E (0.75) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL19869008 0.87 ALOX5 (0.68) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL28500397 0.87 KDM4E (0.74) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL12561714 0.85 KDM4E (0.72) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL14220430 0.85 KDM4E (0.72) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL4077150 0.84 TGFBR1 (1.00) MAPK13MAPK12MAPK11MAPK14ALOX5

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-111635361-B Fluorescent compound and preparation method and application thereof 五邑大学 2022-08-02 CN disclosed
CN-111635361-A Fluorescent compound and preparation method and application thereof 五邑大学 2020-09-08 CN disclosed