SCHEMBL4599849

SCHEMBL4599849

Cc1nc(C(F)(F)F)c(OC(=O)Nc2ccccc2OC(F)(F)C(F)C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL4599063 0.93 TSHR (0.43) TSHRMAPK1MAPTALDH1A1GAA
SCHEMBL4599859 0.88 RECQL (0.41) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL3067393 0.84 GAA (0.47) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL4599192 0.83 TSHR (0.44) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL4599609 0.81 TSHR (0.43) TSHRMAPK1MAPTALDH1A1GAA
SCHEMBL4629736 0.79 RECQL (0.42) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL3067629 0.76 GAA (0.49) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL3078730 0.76 KMT2A (0.44) RECQLTSHRMAPK1MAPTALDH1A1
SCHEMBL4730301 0.74 MAPT (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3069707 0.74 GAA (0.47) RECQLTSHRMAPK1MAPTALDH1A1

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
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