SCHEMBL2009099

SCHEMBL2009099

COC(=O)C(C(=O)c1ncccc1S)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
P2RY1 P47900 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
P2RX7 Q99572 1/20 0.36
NOTUM Q6P988 1/20 0.36
CNR2 P34972 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
SCD O00767 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.34
DHODH Q02127 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL783874 0.89 TLR7 (0.42) NFE2L2ALDH1A1ADAMTS5P2RY1SLC22A12
SCHEMBL2012467 0.84 SCD (0.45) NFE2L2P2RY1SLC22A12NOTUMSCD
SCHEMBL12631173 0.83 SCD (0.45) NFE2L2P2RY1SLC22A12SCDSMN1; SMN2
SCHEMBL12631176 0.81 KDM4E (0.46) NFE2L2ALDH1A1P2RY1SCDSMN1; SMN2
SCHEMBL783872 0.80 RXRA (0.44) NFE2L2ALDH1A1GAA
SCHEMBL2008455 0.78 GAA (0.41) NFE2L2ALDH1A1TRPM8GAA
SCHEMBL8917002 0.76 ALDH1A1 (0.44) ALDH1A1CNR2SMN1; SMN2MAPK1GAA
SCHEMBL12631560 0.76 SCD (0.41) NFE2L2ADAMTS5P2RY1SLC22A12SCD
SCHEMBL4695895 0.75 ALDH1A1 (0.56) NFE2L2ALDH1A1SLC22A12TRPM8MAPK1
SCHEMBL12631556 0.75 SCD (0.36) NFE2L2ADAMTS5P2RY1SLC22A12SCD

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
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed