SCHEMBL18794812

SCHEMBL18794812

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
POLB P06746 3/20 0.69
LMNA P02545 2/20 0.69
ACHE P22303 1/20 0.69
PKM P14618 1/20 0.58
KMT2A Q03164 5/20 0.58
MCOLN3 Q8TDD5 1/20 0.58
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3778133 0.82 ALDH1A1 (0.59) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3646718 0.82 ALDH1A1 (0.59) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3227122 0.82 KMT2A (0.70) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3778136 0.82 ALDH1A1 (0.59) ALDH1A1POLBLMNAACHEPKM
SCHEMBL3227131 0.82 KMT2A (0.70) ALDH1A1POLBLMNAACHEPKM
SCHEMBL14990609 0.81 ACHE (0.55) ALDH1A1POLBLMNAACHEPKM
SCHEMBL14990608 0.81 ACHE (0.55) ALDH1A1POLBLMNAACHEPKM
SCHEMBL5036713 0.81 ALDH1A1 (0.58) ALDH1A1POLBLMNAACHEPKM
SCHEMBL21124304 0.81 ACHE (0.57) ALDH1A1POLBLMNAACHEPKM
SCHEMBL1791317 0.80 KMT2A (0.58) ALDH1A1POLBLMNAACHEPKM

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