SCHEMBL17590979

SCHEMBL17590979

CN(C(=O)OC(C)(C)C)c1c(Cl)nn(-c2cncc(F)c2)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
SLC5A1 P13866 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
P2RX3 P56373 1/20 0.31
CYP11B2 P19099 1/20 0.30
ELOVL1 Q9BW60 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL15362543 0.88 CYP11B2 (0.34) ADORA2AADORA2BSLC5A1CYP11B2HTR2A
SCHEMBL15357293 0.84 GPR119 (0.41)
SCHEMBL15363476 0.78 ELOVL1 (0.34) ADORA2AADORA2BKAT6AKAT5KAT8
SCHEMBL4968906 0.76 TLR7 (0.33) ADORA2AADORA2BCYP11B2HTR2AHTR2C
SCHEMBL15975585 0.75 ELOVL1 (0.33) ADORA2AADORA2BP2RX3ELOVL1
SCHEMBL16404268 0.74 ELOVL1 (0.32) ADORA2AADORA2BCYP11B2ELOVL1
SCHEMBL22410851 0.72 PAX8 (0.39) ADORA2AADORA2BKAT6AKAT5KAT8
SCHEMBL29746514 0.72 PAX8 (0.39) ADORA2AADORA2BKAT6AKAT5KAT8
SCHEMBL17535312 0.72 GPR119 (0.42)
SCHEMBL2690967 0.72 ELOVL1 (0.32) ADORA2AADORA2BP2RX3ELOVL1

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
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed