SCHEMBL8764554

SCHEMBL8764554

N#CC1=C(C#N)Sc2nc3cc(Cl)ccc3nc2S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 3/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PIK3CG P48736 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL8763571 0.79 NQO2 (0.48) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL8763580 0.79 PSMB8 (0.40) PSMB8PSMB5PIK3CGKMT2AKDM4E
SCHEMBL8626980 0.77 ALDH1A1 (0.42) PSMB8KMT2AKDM4EMAPTMEN1
SCHEMBL4603580 0.76 PSMB8 (0.49) PSMB8PSMB5PIK3CGKMT2AKDM4E
SCHEMBL8764487 0.76 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL8764555 0.76 KDM4E (0.53) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5157381 0.72 PIK3CG (0.58) PIK3CGKMT2AKDM4EMAPTMEN1
SCHEMBL8555964 0.69 PGK1 (0.51) KMT2AMAPTALDH1A1MAPK1LMNA
SCHEMBL3993929 0.69 PSMB8 (0.42) PSMB8PSMB5PIK3CGKMT2AKDM4E
SCHEMBL3994244 0.69 PSMB8 (0.42) PSMB8PSMB5PIK3CGKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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