SCHEMBL3661467

SCHEMBL3661467

CN(CC1CCCCC1)c1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ACHE P22303 1/20 0.39
PKM P14618 1/20 0.38
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 1/20 0.35
NR1D1 P20393 1/20 0.35
NPY5R Q15761 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL6468940 0.78 TDP1 (0.49) KMT2AMEN1ALDH1A1PKMCA2
SCHEMBL6470839 0.76 MAPT (0.45) KMT2AMEN1ALDH1A1PKMCA2
SCHEMBL4733973 0.74 KMT2A (0.45) KMT2AMEN1ALDH1A1MCOLN3ACHE
SCHEMBL22581388 0.71 KMT2A (0.40) KMT2AMEN1ALDH1A1PKMCA2
SCHEMBL1725391 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1MCOLN3ACHE
SCHEMBL4869129 0.68 KMT2A (0.46) KMT2AMEN1ALDH1A1MCOLN3ACHE
SCHEMBL28236653 0.67 KMT2A (0.46) KMT2AMEN1ALDH1A1MCOLN3ACHE
SCHEMBL25173377 0.67 MEN1 (0.38) KMT2AMEN1ALDH1A1ACHECA2
SCHEMBL1807309 0.66 TDP1 (0.62) KMT2AMEN1ALDH1A1PKMCA2
SCHEMBL7750057 0.66 KMT2A (0.56) KMT2AMEN1ALDH1A1MCOLN3ACHE

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
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 WO disclosed