SCHEMBL8763588

SCHEMBL8763588

COC(=O)c1ccc2nc3c(nc2c1)SC(C#N)=C(C#N)S3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 8/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TNF P01375 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ KLF5 Q13887 1/20 0.41

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
SCHEMBL8763561 0.78 ALDH1A1 (0.49) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL21816128 0.78 HTT (0.55) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL31175313 0.78 HTT (0.55) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL8764555 0.76 KDM4E (0.53) HTTALOX15NPC1RAB9AMEN1
SCHEMBL10627567 0.75 TDP1 (0.66) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL5349000 0.73 CSNK2A1 (0.56) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL30133943 0.73 CSNK2A1 (0.56) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL8763571 0.73 NQO2 (0.48) HTTALOX15RAB9AMEN1KMT2A
SCHEMBL27226642 0.72 NPC1 (0.48) HTTALOX15PIK3CAPIK3CBPIK3CG
SCHEMBL15665787 0.72 ALDH1A1 (0.53) HTTNPC1RAB9ASMN1; SMN2KDM4E

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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