SCHEMBL6742183

SCHEMBL6742183

O=[N+]([O-])c1ccc(C=NCCN=Cc2ccc([N+](=O)[O-])cc2O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GPR35 Q9HC97 2/20 0.50
ERN1 O75460 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HKDC1 Q2TB90 1/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL1031373 0.87 POLB (0.64) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL1031372 0.87 POLB (0.64) MAPTMEN1KMT2APOLBKDM4E
Bromide SCHEMBL6531580 0.84 POLB (0.61) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL6742179 0.82 GPR35 (0.51) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14354141 0.80 POLB (0.59) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL14354139 0.80 POLB (0.59) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL16627922 0.79 POLB (0.62) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL27558820 0.79 MAPT (0.60) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL5728986 0.78 POLB (0.60) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL918368 0.78 ERN1 (0.73) MAPTPOLBGPR35ERN1ALDH1A1

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
US-6689733-B1 ENHANCING ACTION OF PEROXY COMPOUNDS; WASHING, CLEANING, DISINFECTING CIBA SPECIALTY CHEMICALS CORPORATION 2004-02-10 US disclosed
EP-1159259-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF Ciba SC Holding AG (CH) 2001-12-05 EP disclosed
WO-2000053574-A1 MANGANESE COMPLEXES OF SALEN LIGANDS AND THE USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-14 WO disclosed