SCHEMBL8568327

SCHEMBL8568327

Nc1cncc(S(N)(=O)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 12/20 0.38
CA2 P00918 12/20 0.38
CA9 Q16790 12/20 0.38
CA1 P00915 11/20 0.38
CA14 Q9ULX7 8/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CYP2C9 P11712 1/20 0.38
CA3 P07451 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
NPY1R P25929 3/20 0.33

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
SCHEMBL8565246 0.84 NSD2 (0.39) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL8566844 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL8562112 0.77 GAA (0.41) MEN1KMT2AALDH1A1CA12CA2
SCHEMBL8601831 0.77 KDM4E (0.34) ALDH1A1CA12CA2CA9CA1
SCHEMBL17555458 0.76 ALDH1A1 (0.36) MEN1KMT2AALDH1A1NPY1RUSP2
SCHEMBL8600910 0.75 TXNRD1 (0.41) MEN1KMT2AALDH1A1CA2NPY1R
SCHEMBL8562255 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C19CA2
SCHEMBL8630572 0.75 CA12 (0.31) CA12CA2CA9CA1CA7
SCHEMBL8599145 0.74 KDM4E (0.36) MEN1KMT2A
SCHEMBL8599625 0.74 CA9 (0.36) KMT2AALDH1A1CYP1A2CYP2D6CA12

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed