SCHEMBL8633335

SCHEMBL8633335

C=CCOS(=O)(=O)c1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA7 P43166 1/20 0.33
EGFR P00533 2/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8596876 0.81 ALDH1A1 (0.39) CA12CA1CA2CA9EGFR
SCHEMBL8924026 0.79 TSHR (0.38) CA12CA1CA2CA9EGFR
SCHEMBL8602043 0.78 KDM4E (0.38) EGFRMAPTALDH1A1LMNAHTT
SCHEMBL8624452 0.77 L3MBTL1 (0.41) CA12CA1CA2CA9CA7
SCHEMBL8562212 0.77 PIN1 (0.46) CA1CA2CA9EGFRALDH1A1
SCHEMBL8626672 0.76 CA12 (0.33) CA12CA1CA2CA9CA7
SCHEMBL8562918 0.75 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL8563003 0.74 L3MBTL1 (0.45) CA12CA1CA2CA9EGFR
SCHEMBL8628904 0.73 CA12 (0.38) CA12CA1CA2CA9CA7
SCHEMBL8630572 0.72 CA12 (0.31) CA12CA1CA2CA9CA7

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