SCHEMBL7882010

SCHEMBL7882010

COC(=O)COc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
LMNA P02545 2/20 0.33
HMGCR P04035 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PPOX P50336 1/20 0.31
KCNN4 O15554 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7889653 0.90 PPOX (0.41) MAPTHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6641328 0.85 BCAT1 (0.33) PDK2KCNN4KDM4E
SCHEMBL7887149 0.85 BCAT1 (0.31)
SCHEMBL7881686 0.85 BCAT1 (0.32) PPOX
SCHEMBL7881673 0.84 CRHR1 (0.34) LMNAALDH1A1TSHR
SCHEMBL7889837 0.83 BCAT1 (0.33) PPOX
SCHEMBL10576727 0.82 PTPN1 (0.35) KDM4E
SCHEMBL10580695 0.82 PLA2G7 (0.39)
SCHEMBL7889886 0.82 AR (0.32) AR
SCHEMBL6248226 0.82 BCAT1 (0.37) PDK2LMNAMAPTSMN1; SMN2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed