SCHEMBL8764487

SCHEMBL8764487

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ DGAT1 O75907 2/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ BACE1 P56817 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ DYRK1A Q13627 3/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ PKM P14618 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
SCHEMBL8557823 0.81 KDM4E (0.49) KDM4EDGAT1SOAT1KCNH2EPHX2
SCHEMBL12342923 0.78 KDM4E (0.51) KDM4EDGAT1SOAT1KCNH2EPHX2
SCHEMBL8764554 0.76 PSMB8 (0.42) KDM4EMEN1ALDH1A1ALOX15KMT2A
SCHEMBL8763571 0.76 NQO2 (0.48) KDM4EBACE1MEN1ALDH1A1ALOX15
SCHEMBL8626980 0.74 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL6107899 0.72 KDM4E (0.72) KDM4EDGAT1KCNH2EPHX2SCN4A
SCHEMBL8764555 0.72 KDM4E (0.53) KDM4EMEN1ALDH1A1ALOX15KMT2A
SCHEMBL12340096 0.72 KDM4E (0.42) KDM4EDGAT1SOAT1KCNH2EPHX2
SCHEMBL12355859 0.72 KDM4E (0.66) KDM4EDGAT1KCNH2EPHX2SCN4A
SCHEMBL12355858 0.72 KDM4E (0.66) 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 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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