SCHEMBL8568115

SCHEMBL8568115

Nc1nccc(S(N)(=O)=O)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
NPY1R P25929 6/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA3 P07451 1/20 0.39
NOD2 Q9HC29 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8560999 0.85 HTT (0.41) MAPTHTTKDM4EMITFNPY1R
SCHEMBL11630762 0.79 MAPT (0.38) MAPTHTTKDM4EMITFNPY1R
SCHEMBL8601738 0.77 ALDH1A1 (0.42) MAPTHTTKDM4EMITFNPY1R
SCHEMBL11713155 0.77 MAPT (0.45) MAPTHTTKDM4EMITFNPY1R
SCHEMBL8565505 0.77 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL8566342 0.76 ALDH1A1 (0.48) MAPTHTTKDM4EMITFNPY1R
SCHEMBL8565961 0.76 CA2 (0.39) MAPTHTTNPY1RCA2CA1
SCHEMBL3688848 0.76 MAPT (0.47) MAPTHTTKDM4EMITFNPY1R
SCHEMBL8600998 0.75 TXNRD1 (0.43) MAPTHTTKDM4EMITFNPY1R
SCHEMBL8625607 0.75 CA12 (0.35) MAPTHTTKDM4EMITFNPY1R

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