SCHEMBL8764542

SCHEMBL8764542

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NQO2 P16083 1/20 0.49
▸ NQO1 P15559 1/20 0.43
▸ MAPT P10636 4/20 0.40
▸ THRB P10828 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ PTPN7 P35236 1/20 0.40

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
SCHEMBL8764549 0.81 NQO2 (0.44) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL8764555 0.81 KDM4E (0.53) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL8763580 0.78 PSMB8 (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8595208 0.76 MAPT (0.37) KDM4EALDH1A1MEN1RAB9AKMT2A
SCHEMBL8557823 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL30717269 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL30717270 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL30717271 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL1160711 0.72 KMT2A (0.68) KDM4EALDH1A1MEN1POLBRAB9A
SCHEMBL10214298 0.72 MEN1 (0.87) KDM4EALDH1A1MEN1POLBRAB9A

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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