SCHEMBL8728253

SCHEMBL8728253

O=C1CNC(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK14 Q16539 2/20 0.44
TTR P02766 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCAR1 Q9BXC0 2/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL29873450 1.00 AR (0.54) ARALDH1A1HTTMAPTKDM4E
SCHEMBL31717926 0.74 MAPT (0.60) ALDH1A1HTTMAPTKDM4EMAPK14
SCHEMBL5479900 0.74 MAPT (0.60) ALDH1A1HTTMAPTKDM4EMAPK14
SCHEMBL5182754 0.74 MGLL (0.53) ARMAPTMAPK14KMT2AMEN1
SCHEMBL663870 0.73 TLR9 (0.61) ALDH1A1HTTMAPTKDM4EKMT2A
SCHEMBL29510657 0.73 TLR9 (0.61) ALDH1A1HTTMAPTKDM4EKMT2A
SCHEMBL6032169 0.71 POLB (0.54) ALDH1A1HTTMAPTKDM4EKMT2A
SCHEMBL27510120 0.71 MGLL (0.56) ALDH1A1HTTMAPK14KMT2AMEN1
SCHEMBL8722181 0.71 MAPT (0.43) ALDH1A1HTTMAPTKDM4EKMT2A
SCHEMBL13735640 0.70 SCN9A (0.46) ALDH1A1HTTMAPTKDM4ETTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0663856-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1995-07-26 EP disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed