SCHEMBL28032786

SCHEMBL28032786

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC1CCBr

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 6/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
PKM P14618 1/20 0.51
ACHE P22303 1/20 0.50
MEN1 O00255 5/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL2014886 0.89 KMT2A (0.60) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL3227122 0.83 KMT2A (0.70) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL3227131 0.83 KMT2A (0.70) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL7570506 0.81 ALDH1A1 (0.56) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL18794812 0.77 ALDH1A1 (0.69) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL30253420 0.76 ALDH1A1 (0.51) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL1791317 0.73 KMT2A (0.58) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL3778133 0.72 ALDH1A1 (0.59) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL18794875 0.72 ALDH1A1 (0.56) ALDH1A1POLBLMNAKMT2AMCOLN3
SCHEMBL6096659 0.72 ALDH1A1 (0.56) ALDH1A1POLBLMNAKMT2AMCOLN3

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
CN-102639529-B Isoxazoline derivative-based pesticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-08-19 CN disclosed