SCHEMBL8763571

SCHEMBL8763571

Cc1ccc2nc3c(nc2c1)SC(C#N)=C(C#N)S3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ TSHR P16473 2/20 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
SCHEMBL8764525 0.81 KDM4E (0.40) KDM4EALDH1A1GAA
SCHEMBL8764554 0.79 PSMB8 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8764555 0.79 KDM4E (0.53) NQO2TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL8764549 0.79 NQO2 (0.44) NQO2TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL8626980 0.77 ALDH1A1 (0.42) NQO2TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL12176873 0.77 NQO2 (0.53) NQO2TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL9334039 0.76 NQO2 (0.57) NQO2TDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL8764487 0.76 KDM4E (0.49) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL8763588 0.73 HTT (0.45) TDP1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL2756741 0.72 NQO2 (0.85) NQO2TDP1KDM4EL3MBTL1ALDH1A1

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
Send feedback