SCHEMBL9746643

SCHEMBL9746643

CC(CO)NC=C(C(=O)O)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9748463 1.00 CES2 (0.31) CES2CES1SMN1; SMN2TDP1
SCHEMBL25379757 1.00 CES2 (0.31) CES2CES1SMN1; SMN2TDP1
SCHEMBL25374352 0.90 SMN1; SMN2 (0.30) SMN1; SMN2TDP1
SCHEMBL10516094 0.89
SCHEMBL10515038 0.89
SCHEMBL6511932 0.85 MEN1 (0.36) SMN1; SMN2TDP1
SCHEMBL5534138 0.85 MEN1 (0.36) SMN1; SMN2TDP1
SCHEMBL3611468 0.81 KDM4E (0.42)
SCHEMBL3611465 0.81 KDM4E (0.42)
SCHEMBL2191174 0.77 SMN1; SMN2 (0.36) CES2CES1SMN1; SMN2TDP1

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
EP-0489733-A1 ANTIBACTERIAL PYRIDO(1,2,3-DE)-1,4-BENZOXAZINONE AGENTS THE UPJOHN COMPANY (US) 1992-06-17 EP disclosed
WO-1990012799-A1 ANTIBACTERIAL PYRIDO(1,2,3-DE)-1,4-BENZOXAZINONE AGENTS THE UPJOHN COMPANY (US) 1990-11-01 WO disclosed