Formic Acid Methyl Ester

Formic Acid Methyl Ester

SCHEMBL28089168

COC=O.FC(F)(F)c1cccnc1Cl

nearest known ligand 0.41

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.41
SLC22A12 Q96S37 1/20 0.39
RPS6KA5 O75582 1/20 0.37
HSD11B1 P28845 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RBP4 P02753 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
SCHEMBL29388965 0.84 RPS6KA5 (0.45) NFE2L2RPS6KA5HSD11B1TRPV1LMNA
SCHEMBL120643 0.84 RPS6KA5 (0.45) NFE2L2RPS6KA5HSD11B1TRPV1LMNA
Hydrochloric Acid SCHEMBL30667166 0.82 RPS6KA5 (0.44) NFE2L2RPS6KA5HSD11B1TRPV1LMNA
Formic Acid Methyl Ester SCHEMBL25291105 0.78 NFE2L2 (0.41) NFE2L2LMNASMN1; SMN2
Formic Acid Methyl Ester SCHEMBL27958586 0.75 NFE2L2 (0.49) NFE2L2LMNA
SCHEMBL4679589 0.73 LMNA (0.38) NFE2L2SLC22A12RPS6KA5HSD11B1CNR2
SCHEMBL586118 0.72 NFE2L2 (0.48) NFE2L2HSD11B1TRPV1LMNA
SCHEMBL2092601 0.71 NFE2L2 (0.50) NFE2L2SLC22A12HSD11B1LMNA
SCHEMBL14480040 0.71 NFE2L2 (0.44) NFE2L2SLC22A12
SCHEMBL11400822 0.71 SMN1; SMN2 (0.39) NFE2L2RPS6KA5HSD11B1LMNASMN1; SMN2

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
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN disclosed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed