SCHEMBL4599609

SCHEMBL4599609

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTBP1 P26599 1/20 0.37

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
SCHEMBL4599859 0.93 RECQL (0.41) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4599192 0.89 TSHR (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4599063 0.88 TSHR (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3074720 0.83 TSHR (0.49) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4599849 0.81 RECQL (0.41) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL1018834 0.80 CHRM3 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4733183 0.77 SMN1; SMN2 (0.36) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1019446 0.77 POLB (0.38) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL3078730 0.76 KMT2A (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4732011 0.76 ALDH1A1 (0.37) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2

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