SCHEMBL9504131

SCHEMBL9504131

C#CCN1C(=O)COc2cc(F)c(-n3cnc4c(c3=O)CCCC4)cc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
CHRM1 P11229 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL6862020 0.79 RAB9A (0.32) POLBEGFR
SCHEMBL8960319 0.79 RORC (0.32) POLBTSHRHTTCHRM1
SCHEMBL8960539 0.79 EGFR (0.31) EGFR
SCHEMBL9837453 0.77 MEN1 (0.36) POLBHTTCHRM1
Flumioxazin SCHEMBL29539500 0.77 GRM1 (0.37)
Flumioxazin SCHEMBL39699 0.77 GRM1 (0.37)
Flumioxazin SCHEMBL29088353 0.76 GRM1 (0.37)
SCHEMBL18260151 0.76 MEN1 (0.34) POLBTSHRHTTCHRM1
SCHEMBL9530080 0.75 CHRM1 (0.31) POLBCHRM1
SCHEMBL9665867 0.75 POLB (0.33) POLBTSHRHTT

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
JP-5140155-A None JP disclosed
JP-H05140155-A BENZOXAZINYLTETRAHYDROQUINAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1993-06-08 JP disclosed