SCHEMBL28224025

SCHEMBL28224025

O=S(=O)(NCCO)C(F)(F)F.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 1/20 0.32
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
NPY5R Q15761 1/20 0.31
GRIA4 P48058 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
SCHEMBL606519 0.98 EPHX1 (0.52) EPHX1CA2CA1MEN1HTT
SCHEMBL28462696 0.85 EPHX1 (0.60) EPHX1CA2CA1MEN1HTT
SCHEMBL15116353 0.84 EPHX1 (0.59) EPHX1CA2CA1MEN1HTT
SCHEMBL9347611 0.84 EPHX1 (0.39) EPHX1CA2CA1CA7CA13
SCHEMBL1260722 0.82 EPHX1 (0.62) EPHX1CA2CA1MEN1HTT
SCHEMBL12789664 0.82 EPHX1 (0.60) EPHX1CA2CA1MEN1HTT
SCHEMBL21716038 0.80 EPHX1 (0.66) EPHX1CA2CA1MEN1KMT2A
SCHEMBL20860680 0.77 EPHX1 (0.38) EPHX1CA2CA1ALDH1A1CYP2C19
SCHEMBL10029324 0.77 CA2 (0.50) EPHX1CA2CA1MEN1HTT
SCHEMBL28569773 0.76 ALDH1A1 (0.33) EPHX1ALDH1A1CYP2C19GAAPKM

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-108232085-A Poly ion liquid coated bacteria cellulose membrane and preparation method thereof 佛山市东航光电科技股份有限公司 2018-06-29 CN disclosed