SCHEMBL28001990

SCHEMBL28001990

CCc1nccn1C.F[B-](F)(F)F.[H+]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LPO P22079 1/20 0.39
HTT P42858 1/20 0.36
TLR8 Q9NR97 2/20 0.34
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
ALPG P10696 1/20 0.32
PLAA Q9Y263 1/20 0.32

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
SCHEMBL6234008 0.98 FDPS (0.42) FDPSKMT2AMEN1LPOHTT
Potassium Ion SCHEMBL28802307 0.96 FDPS (0.41) FDPSKMT2AMEN1LPOHTT
SCHEMBL28295012 0.90 FDPS (0.42) FDPSKMT2AMEN1LPOHTT
SCHEMBL48663 0.89
Hydrochloric Acid SCHEMBL720759 0.87
Bromide SCHEMBL273017 0.87
Fluoride SCHEMBL28144930 0.87
Water SCHEMBL15333942 0.87
Phosphine SCHEMBL28868433 0.87
Hydrochloric Acid SCHEMBL28322581 0.87 FDPS (0.46) FDPSKMT2AMEN1LPOHTT

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-102015666-B Reactive ionic liquids BASF SE 2015-04-08 CN disclosed