SCHEMBL8318449

SCHEMBL8318449

CCCCCCn1c(=O)c2sc3nsnc3sc=2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.52
MGLL Q99685 5/20 0.41
FAAH O00519 4/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA2B P29275 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8318422 0.86 TNF (0.36) TNFSMN1; SMN2ADORA2BALDH1A1CYP3A4
SCHEMBL1074421 0.72 L3MBTL1 (0.46) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL10554618 0.67 TDP1 (0.58) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL10556725 0.67 TDP1 (0.58) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL4963710 0.67 MGLL (0.52) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL12787622 0.67 MGLL (0.52) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL11840543 0.67 MGLL (0.52) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL9626274 0.67 MGLL (0.52) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL18211042 0.66 TDP1 (0.56) TNFMGLLFAAHPTGS1PTGS2
SCHEMBL18211041 0.66 TDP1 (0.56) TNFMGLLFAAHPTGS1PTGS2

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-0912580-A2 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1999-05-06 EP claimed
WO-1998001452-A2 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-01-15 WO claimed
US-5633219-A 5H-pyrrolo(3',4':5,6)(1,4)dithiino(2,3-C)(1,2,5)thiadiazole-5,7(6H)-dione, compositions containing them and their use as antimicrobial and marine antifouling agents THE DOW CHEMICAL COMPANY (US) 1997-05-27 US claimed
EP-0912580-A2 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1999-05-06 EP disclosed
WO-1998001452-A2 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1998-01-15 WO disclosed