SCHEMBL8555528

SCHEMBL8555528

N#CC1=C(C#N)Sc2nc3cc([N+](=O)[O-])ccc3nc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ GUCY1B2 O75343 1/20 0.45
▸ GUCY1A2 P33402 1/20 0.45
▸ GUCY1A1 Q02108 1/20 0.45
▸ GUCY1B1 Q02153 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL8554669 0.82 GUCY1B2 (0.45) TXNRD1TXNRD3TXNRD2CYP1A2GUCY1B2
SCHEMBL8551448 0.81 GRIA1 (0.51) CYP1A2ALDH1A1TDP1HTTVCAM1
SCHEMBL1259529 0.76 GUCY1B2 (0.59) TXNRD1TXNRD3TXNRD2CYP1A2GUCY1B2
SCHEMBL8555964 0.75 PGK1 (0.51) ALDH1A1CYP3A4TDP1TSHRVCAM1
SCHEMBL8553964 0.75 GAA (0.46) ALDH1A1CYP3A4TDP1TSHRVCAM1
SCHEMBL15197892 0.73 CYP1A2 (0.58) TXNRD1TXNRD3TXNRD2CYP1A2GUCY1B2
SCHEMBL8764554 0.73 PSMB8 (0.42) CYP1A2ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL8763571 0.73 NQO2 (0.48) CYP1A2ALDH1A1TDP1TSHRHTT
SCHEMBL12340109 0.73 CYP1A2 (0.40) TXNRD1TXNRD3TXNRD2CYP1A2GUCY1B2
SCHEMBL8626980 0.71 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPTLMNA

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
Send feedback