SCHEMBL8555964

SCHEMBL8555964

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.51
▸ 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 3/20 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
▸ VCAM1 P19320 4/20 0.44
▸ LMNA P02545 2/20 0.40
▸ MERTK Q12866 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GLP1R P43220 1/20 0.38
▸ GALR2 O43603 1/20 0.36
▸ TSHR P16473 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
SCHEMBL8551448 0.90 GRIA1 (0.51) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL8553964 0.83 GAA (0.46) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL8551999 0.82 PGK1 (0.45) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL6109031 0.75 PGK1 (0.58) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL1291907 0.74 PGK1 (0.61) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL8554900 0.71 GRM6 (0.44) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL14973435 0.70 PTPN11 (0.57) PGK1MAPTPOLBTDP1VCAM1
SCHEMBL8764554 0.69 PSMB8 (0.42) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL30905604 0.68 GRIA1 (0.73) PGK1GRM6GRIA1GRIA2GRIA3
SCHEMBL1291788 0.68 PGK1 (1.00) PGK1POLBLMNAALDH1A1GLP1R

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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