SCHEMBL20876115

SCHEMBL20876115

[CH2]c1c(Br)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
AXL P30530 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP3 O14638 2/20 0.33
ENPP1 P22413 2/20 0.33

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
SCHEMBL408969 0.83 ALDH1A1 (0.39) SMN1; SMN2HSD11B1CA2P2RX7LMNA
SCHEMBL7191759 0.76 TAS2R14 (0.42) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL29447944 0.75 CA1 (0.54) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL14127381 0.75 CA1 (0.54) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL363301 0.75 CA1 (0.54) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL1041762 0.74 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL31618847 0.74 ULK1 (0.40) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL899344 0.74 ULK1 (0.40) SMN1; SMN2HSD11B1CA2CA1CA5A
SCHEMBL884999 0.74 HSD11B1 (0.38) SMN1; SMN2HSD11B1CA2P2RX7L3MBTL1
SCHEMBL1047298 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO disclosed