SCHEMBL21569786

SCHEMBL21569786

CN(CC(=O)NCCS(=O)(=O)O)CC(=O)NCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.34
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ACP1 P24666 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23961880 0.81 HDAC1 (0.34) MEN1KMT2AHDAC1ALDH1A1EPHX2
SCHEMBL24591722 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL19523435 0.80 MCL1 (0.37) MEN1KMT2ARAB9AEPHX2
SCHEMBL23929057 0.79 ACP1 (0.38) MEN1KMT2AALDH1A1EPHX2L3MBTL1
SCHEMBL21569775 0.78 CA1 (0.36) MEN1KMT2ACA1CA2EPHX2
SCHEMBL6889241 0.77 MEN1 (0.62) MEN1KMT2AALDH1A1EPHX2L3MBTL1
SCHEMBL15220896 0.76 MCL1 (0.33) KMT2AALDH1A1EPHX2
SCHEMBL27102318 0.75 HDAC1 (0.32) HDAC1ALDH1A1
SCHEMBL7531907 0.75 MEN1 (0.38) MEN1KMT2AHDAC1ALDH1A1CA1
SCHEMBL24591803 0.74 MEN1 (0.36) MEN1KMT2AHDAC1ALDH1A1CA1

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-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 WO disclosed