SCHEMBL28270443

SCHEMBL28270443

NC(=O)c1ccccc1-c1ccc(Cl)cc1.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.69
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
CASP1 P29466 1/20 0.50
PARP1 P09874 2/20 0.49
CYP2C19 P33261 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
CHEK1 O14757 1/20 0.47
FPR2 P25090 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL197002 0.98 BCAT2 (0.71) BCAT2SLC6A4SLC6A3FGFR1SRC
SCHEMBL5878337 0.88 BCAT2 (0.87) BCAT2SLC6A4SLC6A3PARP1CHEK1
SCHEMBL30582476 0.86 BCAT2 (0.83) BCAT2SLC6A4SLC6A3CHEK1MAPT
SCHEMBL28355265 0.84 BCAT2 (0.96) BCAT2FGFR1SRCFGFR2FGFR4
SCHEMBL31140008 0.82 BCAT2 (0.92) BCAT2PARP1CHEK1MAPTMEN1
SCHEMBL10631889 0.82 SLC6A4 (0.66) BCAT2SLC6A4SLC6A3FGFR1SRC
SCHEMBL6590788 0.82 IKBKB (0.52) BCAT2SLC6A4SLC6A3FGFR1SRC
SCHEMBL29427545 0.82 BCAT2 (1.00) BCAT2FGFR1SRCFGFR2FGFR4
SCHEMBL132986 0.82 BCAT2 (1.00) BCAT2FGFR1SRCFGFR2FGFR4
SCHEMBL16149659 0.82 BCAT2 (0.91) BCAT2PARP1CHEK1MAPTMEN1

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
CN-109232411-A A method of preparing boscalid 广东广康生化科技股份有限公司 2019-01-18 CN disclosed