SCHEMBL8557823

SCHEMBL8557823

N#CC(C#N)=C1Sc2nc3ccc(C(F)(F)F)cc3nc2S1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ DGAT1 O75907 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ NPBWR1 P48145 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8764487 0.81 KDM4E (0.49) KDM4EDGAT1KCNH2SOAT1EPHX2
SCHEMBL8763580 0.78 PSMB8 (0.40) KDM4EMEN1KMT2ADYRK1AALDH1A1
SCHEMBL8595208 0.76 MAPT (0.37) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6107899 0.72 KDM4E (0.72) KDM4EDGAT1KCNH2EPHX2SCN4A
SCHEMBL10074714 0.70 KDM4E (0.51) KDM4EMEN1KMT2APKM
SCHEMBL12355859 0.69 KDM4E (0.66) KDM4EDGAT1KCNH2EPHX2SCN4A
SCHEMBL12355858 0.69 KDM4E (0.66) KDM4EDGAT1KCNH2EPHX2SCN4A
SCHEMBL12342923 0.68 KDM4E (0.51) KDM4EDGAT1KCNH2SOAT1EPHX2
SCHEMBL8554900 0.68 GRM6 (0.44) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL13641613 0.67 KDM4E (0.63) KDM4EDGAT1KCNH2EPHX2SCN4A

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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