SCHEMBL8552936

SCHEMBL8552936

O=[N+]([O-])c1cc2nc(Cl)c(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
POLB P06746 2/20 0.57
GALR2 O43603 1/20 0.57
PGK1 P00558 1/20 0.49
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRM6 O15303 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
BLM P54132 2/20 0.44
CYP2C9 P11712 1/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL31530748 1.00 LMNA (0.57) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL31530747 1.00 LMNA (0.57) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL1291907 0.90 PGK1 (0.61) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL8556955 0.86 GAA (0.51) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL5722727 0.86 POLB (0.44) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL6307919 0.82 HPGD (0.46) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL8917176 0.82 PGK1 (0.47) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL8893002 0.82 POLB (0.45) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL30905604 0.82 GRIA1 (0.73) LMNAPOLBGALR2PGK1GRIA1
SCHEMBL2244661 0.81 LMNA (0.61) LMNAPOLBGALR2PGK1GRIA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4119460-A FUSED CARBOCYCLIC RING COMPOUNDS, POLYPHENYL COMPOUNDS NITROGEN-FREE POLYARYLATED COMPOUNDS EASTMAN KODAK COMPANY (US) 1978-10-10 US claimed
EP-0573635-B1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL DOW CHEMICAL CO (US) 1998-07-08 EP disclosed
EP-0784083-A2 Composition and use of substituted 1,3-dithiolo-and 1,4-dithiinoquinoxalines as an antimicrobial THE DOW CHEMICAL COMPANY (US) 1997-07-16 EP disclosed
EP-0573635-A1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1993-12-15 EP disclosed
WO-1993013106-A1 COMPOSITION AND USE OF SUBSTITUTED 1,3-DITHIOLO- AND 1,4-DITHIINOQUINOXALINES AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1993-07-08 WO disclosed
US-5200409-A For preventing growth of marine organisms on an exposed surface THE DOW CHEMICAL COMPANY (US) 1993-04-06 US disclosed
US-4119460-A FUSED CARBOCYCLIC RING COMPOUNDS, POLYPHENYL COMPOUNDS NITROGEN-FREE POLYARYLATED COMPOUNDS EASTMAN KODAK COMPANY (US) 1978-10-10 US disclosed