SCHEMBL18794846

SCHEMBL18794846

COC(=O)[C@H]1CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.51
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.49
PKM P14618 2/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL18794843 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL18794854 1.00 ALDH1A1 (0.54) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL2772035 0.88 NPC1 (0.54) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL7981690 0.86 ALDH1A1 (0.58) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL16594980 0.84 ALDH1A1 (0.46) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL18794875 0.84 ALDH1A1 (0.56) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL6096659 0.84 ALDH1A1 (0.56) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL6096663 0.84 ALDH1A1 (0.56) ALDH1A1LMNAPOLBACHEKMT2A
SCHEMBL1737189 0.80 CTSS (0.47) ALDH1A1KMT2AMMP2
SCHEMBL1737187 0.80 CTSS (0.47) ALDH1A1KMT2AMMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017070794-A1 PROCESS FOR THE PREPARATION OF 2-[2-(2-AMINO-2-CARBOXY-ETHYLAMINO)-2-CARBOXY-ETHYLAMINO]-SUCCINIC ACID (AM-A) AND ANALOGS AND DERIVATIVES THEREOF MCMASTER UNIVERSITY (CA) 2017-05-04 WO disclosed
WO-2017070794-A1 PROCESS FOR THE PREPARATION OF 2-[2-(2-AMINO-2-CARBOXY-ETHYLAMINO)-2-CARBOXY-ETHYLAMINO]-SUCCINIC ACID (AM-A) AND ANALOGS AND DERIVATIVES THEREOF MCMASTER UNIVERSITY (CA) 2017-05-04 WO disclosed