SCHEMBL8551448

SCHEMBL8551448

N#CC1=C(C#N)Sc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.51
▸ GRIA2 P42262 2/20 0.51
▸ GRIA3 P42263 2/20 0.51
▸ GRIA4 P48058 2/20 0.51
▸ GRM6 O15303 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GALR2 O43603 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ VCAM1 P19320 4/20 0.39
▸ PTPN11 Q06124 1/20 0.37
▸ PGK1 P00558 1/20 0.37
▸ CTSB P07858 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8555964 0.90 PGK1 (0.51) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL8553964 0.90 GAA (0.46) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL8555528 0.81 TXNRD1 (0.47) MAPTPOLBHPGDTDP1LMNA
SCHEMBL8554900 0.80 GRM6 (0.44) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL8551999 0.71 PGK1 (0.45) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL8557130 0.71 GAA (0.43) GRIA1GRIA2GRIA3GRIA4GRM6
Dnqx SCHEMBL1258964 0.70 POLB (0.57) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL2460241 0.70 GRIA1 (0.73) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL2244661 0.69 LMNA (0.61) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL8626980 0.69 ALDH1A1 (0.42) MAPTPOLBHPGDTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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