SCHEMBL8148248

SCHEMBL8148248

O=C1NC(=O)c2c1cc1cc3c(cc1c2-c1ccc(F)cc1)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TOP2A P11388 1/20 0.42
PTGS2 P35354 2/20 0.40
GSK3B P49841 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
DYRK3 O43781 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL8085334 0.88 ALOX5 (0.66) ALOX5MEN1KMT2ATOP2APTGS2
SCHEMBL8028888 0.81 ALOX5 (0.80) ALOX5MEN1KMT2ATOP2APTGS2
SCHEMBL8084885 0.80 PTGS2 (0.44) ALOX5MEN1KMT2APTGS2CHEK1
SCHEMBL8085182 0.75 ALOX5 (0.49) ALOX5MEN1KMT2ATOP2A
SCHEMBL8086701 0.72 ALOX5 (0.46) ALOX5KMT2AGSK3BCHEK1WEE1
SCHEMBL2959109 0.72 ALOX5 (0.48) ALOX5MEN1KMT2APTGS2
SCHEMBL8080438 0.70 ALOX5 (0.52) ALOX5MEN1KMT2ATOP2A
SCHEMBL8085136 0.69 CHEK1 (0.35) MEN1KMT2ACHEK1WEE1
SCHEMBL8085088 0.68 ALOX5 (1.00) ALOX5MEN1KMT2ATOP2A
SCHEMBL8085105 0.68 TDP2 (0.39) ALOX5MEN1KMT2APTGS2MAP2K4

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
JP-2000072696-A PRODUCTION OF NAPHTHALENE DERIVATIVE, AND INTERMEDIATE THEREFOR TAKEDA CHEM IND LTD 2000-03-07 JP disclosed