SCHEMBL8974386

SCHEMBL8974386

O=S(=O)(O)c1cc2c(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)ccc2c(O)c1N=Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.48
▸ CYP1A2 P05177 4/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ MPL P40238 2/20 0.37
▸ CTRC Q99895 1/20 0.37
▸ ATIC P31939 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ NSD2 O96028 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL16624652 0.86 FUT8 (0.43) FUT8CYP1A2ENPP2PHLPP2MEN1
SCHEMBL9156753 0.85 FUT8 (0.47) FUT8CYP1A2ENPP2PHLPP2MEN1
SCHEMBL8974959 0.85 FUT8 (0.69) FUT8CYP1A2ENPP2PHLPP2MEN1
SCHEMBL13881051 0.84 FUT8 (0.49) FUT8CYP1A2ENPP2MEN1KMT2A
SCHEMBL9010623 0.83 HPGDS (0.41) FUT8CYP1A2KMT2AATICALDH1A1
SCHEMBL13406580 0.81 FUT8 (0.57) FUT8CYP1A2ENPP2PHLPP2MEN1
SCHEMBL13455170 0.81 FUT8 (0.77) FUT8CYP1A2ENPP2PHLPP2MEN1
SCHEMBL14625907 0.80 FUT8 (0.35) FUT8ENPP2PHLPP2CARM1PRMT1
SCHEMBL13513259 0.80 FUT8 (0.53) FUT8CYP1A2ENPP2PHLPP2MEN1
Ammonia Solution, Strong SCHEMBL10651283 0.79 CYP1A2 (0.55) CYP1A2ENPP2PHLPP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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