SCHEMBL3045479

SCHEMBL3045479

Cn1cc(OC(=O)Nc2ccccc2OC(F)(F)C(F)Cl)c(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 5/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
HSP90AA1 P07900 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HTT P42858 2/20 0.34
PTBP1 P26599 1/20 0.34
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 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
SCHEMBL1683038 0.93 TSHR (0.44) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL4629869 0.90 RECQL (0.42) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL4630911 0.89 TSHR (0.42) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL3041666 0.88 TSHR (0.38) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL528778 0.85 TSHR (0.42) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL29779370 0.85 TSHR (0.42) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL11962977 0.83 TSHR (0.46) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL4615392 0.81 TSHR (0.44) TSHRMAPK1LMNAPOLBALDH1A1
SCHEMBL4648738 0.79 LMNA (0.40) TSHRMAPK1LMNAPOLBMEN1
SCHEMBL4629948 0.79 MAPK1 (0.42) TSHRMAPK1LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912496-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2008-04-23 EP claimed
WO-2007017449-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2007-02-15 WO claimed
EP-2224812-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-09-08 EP disclosed
WO-2009077471-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO disclosed
EP-1912496-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007017449-A1 FUNGICIDAL MIXTURES COMPRISING CARBOXYLIC ACID-N-[2-(HALOGENALK(ENYL)OXY)PHENYL]AMIDES BASF SE (DE) 2007-02-15 WO disclosed