SCHEMBL8764555

SCHEMBL8764555

COc1ccc2nc3c(nc2c1)SC(C#N)=C(C#N)S3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NQO2 P16083 1/20 0.53
▸ NQO1 P15559 1/20 0.50
▸ HPGDS O60760 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ MAPT P10636 4/20 0.43

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
SCHEMBL8764542 0.81 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8763571 0.79 NQO2 (0.48) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL4602088 0.78 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8764554 0.76 PSMB8 (0.42) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10214298 0.75 MEN1 (0.87) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8626980 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8552704 0.73 MEN1 (0.59) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL30717270 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL30717269 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL1160711 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1KMT2ARAB9A

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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