SCHEMBL21667992

SCHEMBL21667992

C/N=C\c1cccc(F)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.38
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
ERN1 O75460 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 2/20 0.33

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
SCHEMBL14479290 0.82 NPC1 (0.40) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24749936 0.81 NFE2L2 (0.39) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10073404 0.80 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21649876 0.78 TRPA1 (0.39) NFE2L2RAB9ASMN1; SMN2GAAMAPT
SCHEMBL11410251 0.77 SIRT2 (0.43) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11410253 0.77 SIRT2 (0.43) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7542298 0.74 NFE2L2 (0.41) NFE2L2ERN1GAAACHEALDH1A1
SCHEMBL29956284 0.74 ERN1 (0.57) NFE2L2ERN1ACHELMNAALDH1A1
SCHEMBL97029 0.74 ERN1 (0.57) NFE2L2ERN1ACHELMNAALDH1A1
SCHEMBL16951325 0.74 ERN1 (0.42) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A

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
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed