SCHEMBL22645874

SCHEMBL22645874

CCCCCN/C(=N/S(N)(=O)=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.41
CA2 P00918 4/20 0.40
CASP2 P42575 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
CA1 P00915 3/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARA Q07869 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL19174253 0.95 CA2 (0.42) EPHX1CA2CA1MEN1HTT
SCHEMBL19233108 0.86 EPHX1 (0.41) EPHX1CA2CASP2CA1MEN1
SCHEMBL18665159 0.81 MEN1 (0.42) EPHX1CA2CA1MEN1HTT
SCHEMBL19176325 0.80 CHRNB2 (0.31)
SCHEMBL22645876 0.74 EPHX1 (0.42) EPHX1CA2CASP2DPP7CA1
SCHEMBL31344275 0.73 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18665165 0.71 ALDH1A1 (0.36) CA2CA1MEN1KMT2APPARA
SCHEMBL27453925 0.71 CA2 (0.35) CA2
SCHEMBL19169196 0.71 EPHX1 (0.40) EPHX1CASP2DPP7HTTZDHHC20
SCHEMBL19771875 0.70 CES2 (0.38) CA2CA1MEN1KMT2APPARA

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
WO-2020227537-A1 DIFFERENTIALLY EXPRESSED IMMUNE CELL MICRORNAS FOR REGULATION OF PROTEIN EXPRESSION Modernatx, Inc (US) 2020-11-12 WO disclosed