SCHEMBL9112970

SCHEMBL9112970

FC(F)=C(F)CCN=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.46
TAAR1 Q96RJ0 2/20 0.45
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 2/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL9112968 1.00 CA2 (0.46) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL9110666 0.78 ALDH1A1 (0.46) CA2L3MBTL1CA12CA9CA1
SCHEMBL9110675 0.78 ALDH1A1 (0.46) CA2L3MBTL1CA12CA9CA1
SCHEMBL845363 0.77 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL845362 0.77 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL4256710 0.77 CA2 (0.61) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL22832260 0.77 CA2 (0.53) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL13088900 0.74 CA2 (0.53) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL474202 0.74 CA2 (0.53) CA2TAAR1LMNAL3MBTL1CA12
SCHEMBL474203 0.74 CA2 (0.53) CA2TAAR1LMNAL3MBTL1CA12

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-5457134-A Controlling nematodes, insects, acarids on plants MONSANTO COMPANY (US) 1995-10-10 US claimed