SCHEMBL22645876

SCHEMBL22645876

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
CA2 P00918 4/20 0.41
CASP2 P42575 1/20 0.39
KDM1A O60341 1/20 0.39
DPP7 Q9UHL4 2/20 0.39
CA1 P00915 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL25615670 0.95 CA2 (0.44) EPHX1CA2KDM1ACA1MEN1
SCHEMBL19168536 0.86 EPHX1 (0.42) EPHX1CA2CASP2KDM1ADPP7
SCHEMBL21230926 0.81 KDM1A (0.36) KDM1AMEN1HTTKMT2A
SCHEMBL18665149 0.80 MEN1 (0.43) EPHX1CA2KDM1ACA1MEN1
SCHEMBL21473435 0.79 KDM1A (0.37) KDM1A
SCHEMBL21477768 0.79 KDM1A (0.37) KDM1A
SCHEMBL13488628 0.75 EPHX1 (0.47) EPHX1CASP2DPP7ZDHHC20ZDHHC2
SCHEMBL23419432 0.74 KDM1A (0.33) KDM1A
SCHEMBL22645874 0.74 EPHX1 (0.41) EPHX1CA2CASP2DPP7CA1
SCHEMBL21064892 0.73 KDM1A (0.64) EPHX1CASP2KDM1AZDHHC20ZDHHC2

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