SCHEMBL8624008

SCHEMBL8624008

O=[N+]([O-])c1cc([N+](=O)[O-])c2nn(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TYMS P04818 1/20 0.40
PPARG P37231 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
VCAM1 P19320 6/20 0.38
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2 P00734 1/20 0.36
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36

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
SCHEMBL27627302 0.90 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL27647520 0.87 TXNRD1 (0.44) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL27647524 0.85 ALDH1A1 (0.45) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL27627285 0.82 MEN1 (0.46) KAT2BTXNRD1TXNRD3TXNRD2GPR35
SCHEMBL27627283 0.82 MAPT (0.49) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL27627291 0.81 HSP90AA1 (0.47) TXNRD1TXNRD3TXNRD2ALDH1A1POLB
SCHEMBL27647523 0.80 POLB (0.44) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL28758637 0.79 MEN1 (0.44) TXNRD1TXNRD3TXNRD2GPR35ALDH1A1
SCHEMBL27464384 0.76 MEN1 (0.38) TXNRD1TXNRD3TXNRD2ALDH1A1POLB
SCHEMBL28756330 0.75 PPARG (0.52) GPR35ALDH1A1POLBMAPTPPARG

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
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed