SCHEMBL13991090

SCHEMBL13991090

O=C(O)c1cc(S(=O)(=O)O)ccc1Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(SOOO)c(/N=N/c4ccccc4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.62
▸ ENPP2 Q13822 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ PRMT1 Q99873 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CHAT P28329 3/20 0.32
▸ APEX1 P27695 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL13991106 0.94 FUT8 (0.59) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL14500860 0.90 FUT8 (0.74) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL12589896 0.89 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13991093 0.89 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13991457 0.89 FUT8 (0.78) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL12589891 0.88 FUT8 (0.65) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL12878724 0.84 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13513117 0.84 FUT8 (0.48) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL14016328 0.83 FUT8 (0.41) FUT8ENPP2MEN1KMT2ATHRB
SCHEMBL13815211 0.83 FUT8 (0.74) FUT8ENPP2MEN1KMT2ATHRB

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
US-20080316289-A1 Composition suitable for use in ink jet printing FUJIFILM IMAGING COLORANTS LIMITED 2008-12-25 — — US disclosed
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