SCHEMBL7873732

SCHEMBL7873732

FC(F)(F)C=Cc1ccccc1.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.52
MAOB P27338 4/20 0.48
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
CYP19A1 P11511 2/20 0.41
MAOA P21397 2/20 0.41
TRPA1 O75762 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL9800772 0.97 NFE2L2 (0.54) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL115403 0.97 NFE2L2 (0.54) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL2875295 0.97 NFE2L2 (0.54) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL26604314 0.84 CA1 (0.48) NFE2L2MAOBALDH1A1CYP19A1MAOA
SCHEMBL26604311 0.84 CA1 (0.48) NFE2L2MAOBALDH1A1CYP19A1MAOA
SCHEMBL4561527 0.82 NFE2L2 (0.41) NFE2L2MAOBCYP2C19ALDH1A1MAPT
SCHEMBL27767059 0.79 BCL2L1 (0.47) NFE2L2MAOBCYP19A1MAOAHDAC2
SCHEMBL3722626 0.78 CYP2C19 (0.47) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL16439911 0.78 MAOB (0.46) NFE2L2MAOBCYP2C19ALDH1A1TSHR
SCHEMBL16439910 0.78 MAOB (0.46) NFE2L2MAOBCYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066657-A1 ELECTROLYTES CONTAINING MIXED FLUOROCARBON/HYDROCARBON IMIDE AND METHIDE SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-01-10 EP disclosed
EP-0980353-A1 FLUORINATED SULPHONAMIDE AND SULPHONE DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-02-23 EP disclosed
WO-1999049529-A1 ELECTROLYTES CONTAINING MIXED FLUOROCARBON/HYDROCARBON IMIDE AND METHIDE SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-30 WO disclosed
WO-1998050349-A1 FLUORINATED SULPHONAMIDE AND SULPHONE DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed