SCHEMBL8596306

SCHEMBL8596306

C=CCS(=O)(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NT5E P21589 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
SCHEMBL8626672 0.81 CA12 (0.33)
SCHEMBL8602041 0.80 KDM4E (0.38) KDM4EHTTKMT2A
SCHEMBL8598890 0.80 TSHR (0.34) KDM4EKMT2A
SCHEMBL8567243 0.77 CA2 (0.38) ALDH1A1MAPT
SCHEMBL8560405 0.76 NT5E (0.43) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL8596090 0.76 TXNRD1 (0.41) ALDH1A1LMNAMAPTHTTBLM
SCHEMBL8562052 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL8602563 0.75 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL8596876 0.75 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL8596319 0.75 ALDH1A1 (0.32) ALDH1A1MAPTHTTKMT2A

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