SCHEMBL18794875

SCHEMBL18794875

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
ACHE P22303 1/20 0.52
HTT P42858 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6096659 1.00 ALDH1A1 (0.56) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL6096663 1.00 ALDH1A1 (0.56) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL19243674 0.87 ALDH1A1 (0.52) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL19243532 0.87 ALDH1A1 (0.52) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL16310107 0.87 NPC1 (0.51) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL5702208 0.86 NPC1 (0.58) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL5701909 0.86 NPC1 (0.58) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL6928231 0.86 NPC1 (0.58) ALDH1A1POLBLMNANPC1KMT2A
SCHEMBL6926208 0.85 ALDH1A1 (0.59) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL5065638 0.85 ALDH1A1 (0.59) ALDH1A1LMNANPC1KMT2AMEN1

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-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