SCHEMBL8072638

SCHEMBL8072638

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.90
CYP1A2 P05177 3/20 0.54
MAPK1 P28482 2/20 0.53
CYP2C9 P11712 1/20 0.53
DNASE1L3 Q13609 1/20 0.53
PRMT1 Q99873 2/20 0.53
ENPP2 Q13822 5/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
PHLPP2 Q6ZVD8 2/20 0.43
THRB P10828 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
CARM1 Q86X55 1/20 0.38

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
SCHEMBL8114946 1.00 FUT8 (0.90) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL31474592 0.95 FUT8 (1.00) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL13474896 0.95 FUT8 (1.00) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14529440 0.94 FUT8 (0.95) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL29375925 0.94 FUT8 (0.82) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL30065554 0.94 FUT8 (0.95) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL12646577 0.92 FUT8 (0.83) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL29991597 0.92 FUT8 (0.83) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL14135301 0.91 FUT8 (0.92) FUT8CYP1A2MAPK1CYP2C9DNASE1L3
SCHEMBL9454071 0.90 FUT8 (0.88) FUT8CYP1A2MAPK1CYP2C9DNASE1L3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576143-B1 Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine-4-ylamino group BASF AG (DE) 2000-08-09 EP disclosed
US-6022384-A Negative dyes and coloration process using them ZENECA LIMITED (GB) 2000-02-08 US disclosed
US-5968208-A Negative dyes and coloration process using them ZENECA LIMITED (GB) 1999-10-19 US disclosed
EP-0876430-A1 NEGATIVE DYES AND COLORATION PROCESS USING THEM ZENECA LIMITED (GB) 1998-11-11 EP disclosed
WO-1997019137-A1 NEGATIVE DYES AND COLORATION PROCESS USING THEM ZENECA LIMITED (GB) 1997-05-29 WO disclosed
EP-0559310-B1 Ink compositions ZENECA LTD (GB) 1996-04-03 EP disclosed
US-5383960-A Ink jet printing inks ZENECA LIMITED (GB) 1995-01-24 US disclosed
EP-0372729-B1 Reactive dyes ZENECA LTD (GB) 1995-01-18 EP disclosed
US-5373094-A Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine group ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5269816-A Water-soluble reactive triazine dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0559310-A1 Ink compositions ZENECA LIMITED (GB) 1993-09-08 EP disclosed
US-5149790-A Azo, anthraquinone or triphenodioxazine dyes, suitable for coloration of textiles; good resistance to washing and light IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 US disclosed