SCHEMBL9629888

SCHEMBL9629888

CC(NC(=O)c1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
TAS1R2 Q8TE23 3/20 0.42

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
SCHEMBL7135256 0.82 ITGB2 (0.53) TRPA1ITGB2ICAM1ITGALMEN1
SCHEMBL8402593 0.77 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8402596 0.77 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL17362386 0.77 FEN1 (0.61)
SCHEMBL17362389 0.77 FEN1 (0.61)
SCHEMBL24567560 0.76 ITGB2 (0.48) TRPA1ITGB2ICAM1ITGALMEN1
SCHEMBL13761299 0.76 NPSR1 (0.50) TRPA1ITGB2ICAM1ITGAL
SCHEMBL164814 0.76 ITGB2 (0.48) TRPA1ITGB2ICAM1ITGALMEN1
SCHEMBL30771879 0.75 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1
SCHEMBL31125745 0.75 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323637-B1 L(-) 2,6-DIFLUOROBENZOIC-N-(1,1,1-TRIFLUORO-PROP-2-YL)AMIDE BAYER AG (DE) 1992-12-16 EP claimed
US-4840969-A APPLYING AS INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
EP-0323637-B1 L(-) 2,6-DIFLUOROBENZOIC-N-(1,1,1-TRIFLUORO-PROP-2-YL)AMIDE BAYER AG (DE) 1992-12-16 EP disclosed
US-5082862-A Insecticides, nematocides BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
EP-0323637-A1 L(-) 2,6-difluorobenzoic-N-(1,1,1-trifluoro-prop-2-yl)amide BAYER AG (DE) 1989-07-12 EP disclosed
EP-0323637-A1 L(-) 2,6-difluorobenzoic-N-(1,1,1-trifluoro-prop-2-yl)amide BAYER AG (DE) 1989-07-12 EP disclosed
US-4840969-A APPLYING AS INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed