SCHEMBL5616629

SCHEMBL5616629

NC(=O)c1cc(F)ccc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.51
CHUK O15111 3/20 0.51
GRM2 Q14416 3/20 0.49
BTK Q06187 2/20 0.48
MEN1 O00255 1/20 0.46
JAK2 O60674 1/20 0.46
EIF2AK2 P19525 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCAT2 O15382 1/20 0.46
PTGS1 P23219 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SCN9A Q15858 2/20 0.44
CDC7 O00311 1/20 0.44
KEAP1 Q14145 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL4026875 0.89 BCAT2 (0.61) IKBKBCHUKGRM2BCAT2KEAP1
SCHEMBL30463456 0.89 BCAT2 (0.61) IKBKBCHUKGRM2BCAT2KEAP1
SCHEMBL28202985 0.87 IKBKB (0.51) IKBKBCHUKGRM2BTKMEN1
SCHEMBL28103667 0.86 IKBKB (0.47) IKBKBCHUKGRM2BTKMEN1
SCHEMBL5616614 0.85 IKBKB (0.51) IKBKBCHUKGRM2BTKMEN1
SCHEMBL4027307 0.84 HPGDS (0.51) JAK2BCAT2SCN9ACDC7GSK3A
SCHEMBL4615110 0.83 EIF4E (0.47) GRM2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL6498591 0.82 HSD17B10 (0.58) MEN1KMT2ASLC6A4SLC6A3KEAP1
SCHEMBL31586500 0.82 HSD17B10 (0.58) MEN1KMT2ASLC6A4SLC6A3KEAP1
SCHEMBL20509052 0.82 SCN9A (0.44) IKBKBCHUKGRM2BTKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071656-A1 METHOD FOR CONTROLLING RUSTING IN LEGUMINOUS PLANTS BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed