SCHEMBL27747737

SCHEMBL27747737

COc1cc(-c2c(OC)ncc(Br)c2C(F)(F)F)c(C)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.39
KDR P35968 2/20 0.39
AURKB Q96GD4 2/20 0.39
PTK2 Q05397 1/20 0.33
FYN P06241 1/20 0.32
ACVR1 Q04771 1/20 0.32
ULK1 O75385 3/20 0.31
S100A9 P06702 1/20 0.31
DRD1 P21728 1/20 0.31
MAOA P21397 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PLK1 P53350 2/20 0.30
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27747725 0.82 PTK2 (0.34) AURKAKDRAURKBPTK2FYN
SCHEMBL676657 0.73 AURKA (0.36) AURKAKDRAURKB
SCHEMBL674613 0.73 AURKA (0.36) AURKAKDRAURKBULK1ALDH1A1
SCHEMBL3994709 0.72 MAOA (0.34) AURKAKDRAURKBPTK2ULK1
SCHEMBL24968929 0.72 ULK1 (0.37) AURKAKDRAURKBULK1S100A9
SCHEMBL30851331 0.72 ULK1 (0.37) AURKAKDRAURKBULK1S100A9
SCHEMBL27768924 0.71 AURKA (0.40) AURKAKDRAURKBULK1EPHX2
SCHEMBL676696 0.68 ULK1 (0.36) AURKAKDRAURKBULK1S100A9
SCHEMBL5942385 0.65 LCK (0.37) KDRFYNALDH1A1
SCHEMBL27955259 0.65 CA2 (0.34) PTK2

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-101483999-A Microbicide composition and method for controlling plant disease injury ISHIHARA SANGYO KAISHA (JP) 2009-07-15 CN claimed