SCHEMBL11642131

SCHEMBL11642131

CN(C)c1ncc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
VCAM1 P19320 2/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL11636549 0.85 ALDH1A1 (0.57) VCAM1ALDH1A1POLBKMT2APKM
SCHEMBL11639878 0.84 TDP1 (0.53) CA2CA12CA1CA9TDP1
SCHEMBL1700915 0.80 SMN1; SMN2 (0.41) CA2CA12CA1CA9TDP1
SCHEMBL11643842 0.78 CA2 (0.54) CA2CA12CA1CA9TDP1
SCHEMBL27849915 0.77 CA2 (0.39) CA2CA12CA1CA9TDP1
SCHEMBL1700340 0.77 CA2 (0.39) CA2CA12CA1CA9TDP1
SCHEMBL1700565 0.77 CA2 (0.39) CA2CA12CA1CA9TDP1
SCHEMBL1700421 0.76 VCAM1 (0.58) CA2CA12CA1CA9TDP1
SCHEMBL11639673 0.76 CA12 (0.49) CA2CA12CA1CA9TDP1
SCHEMBL10346382 0.76 ALDH1A1 (0.62) TDP1ALDH1A1POLBKMT2AHTT

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
US-4094982-A PYRIDINE SULFONAMIDES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JA) 1978-06-13 US claimed
US-4094982-A PYRIDINE SULFONAMIDES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JA) 1978-06-13 US disclosed