SCHEMBL8553964

SCHEMBL8553964

Cc1cc2nc3c(nc2cc1[N+](=O)[O-])SC(C#N)=C(C#N)S3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ GRIA2 P42262 1/20 0.46
▸ GRIA3 P42263 1/20 0.46
▸ GRIA4 P48058 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GALR2 O43603 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PGK1 P00558 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ VCAM1 P19320 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL8551448 0.90 GRIA1 (0.51) GAAGRM6GRIA1GRIA2GRIA3
SCHEMBL8555964 0.83 PGK1 (0.51) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8557130 0.82 GAA (0.43) GAAGRM6GRIA1GRIA2GRIA3
SCHEMBL8555528 0.75 TXNRD1 (0.47) MAPTPOLBHPGDTDP1LMNA
SCHEMBL19213941 0.73 GAA (0.57) GAAGRM6GRIA1GRIA2GRIA3
SCHEMBL8556955 0.72 GAA (0.51) GAAGRM6GRIA1GRIA2GRIA3
SCHEMBL8554900 0.71 GRM6 (0.44) GAAGRM6GRIA1GRIA2GRIA3
SCHEMBL8315640 0.70 PTPN11 (0.57) GAAMAPTPOLBGALR2LMNA
SCHEMBL1343685 0.69 GRIA1 (0.45) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8763571 0.69 NQO2 (0.48) GAAMAPTPOLBHPGDTDP1

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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