SCHEMBL8601003

SCHEMBL8601003

NC(=O)Nc1cc(Nc2nc(Cl)nc(NCCOCCO)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ CA12 O43570 4/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ CA5A P35218 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ KCNH3 Q9ULD8 3/20 0.38
▸ CHAT P28329 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL8601012 1.00 FUT8 (0.42) FUT8CA12CA1CA2CA9
SCHEMBL9270771 0.87 FUT8 (0.48) FUT8CA12CA1CA2CA9
SCHEMBL9740928 0.87 FUT8 (0.48) FUT8CA12CA1CA2CA9
SCHEMBL20685430 0.87 FUT8 (0.40) FUT8CA12CA1CA2CA9
SCHEMBL13881094 0.85 CA12 (0.33) FUT8CA12CA1CA2CA9
SCHEMBL3653222 0.84 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL4167795 0.84 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL29637596 0.84 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL45600 0.84 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL13881099 0.83 CA1 (0.39) FUT8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885999-A2 Process for ink jet printing textile materials Ciba SC Holding AG (CH) 1998-12-23 — — EP disclosed
Send feedback