SCHEMBL5701909

SCHEMBL5701909

O=C(O)[C@H]1CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
MEN1 O00255 2/20 0.53
ACHE P22303 1/20 0.53
HTT P42858 1/20 0.52
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL5702208 1.00 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6928231 1.00 NPC1 (0.58) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL8882067 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL5065638 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6926208 0.93 ALDH1A1 (0.59) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18337954 0.92 ALDH1A1 (0.65) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18337953 0.92 ALDH1A1 (0.65) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL18794875 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6096659 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1
SCHEMBL6096663 0.86 ALDH1A1 (0.56) NPC1ALDH1A1KMT2AMCOLN3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed