SCHEMBL13991106

SCHEMBL13991106

Cc1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccccc5S(=O)(=O)O)c(O)c34)n2)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.59
▸ CYP1A2 P05177 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ ENPP2 Q13822 4/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ PRMT1 Q99873 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PHLPP2 Q6ZVD8 2/20 0.31
▸ DHODH Q02127 2/20 0.31
▸ METAP2 P50579 1/20 0.31

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
SCHEMBL13991090 0.94 FUT8 (0.62) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13991107 0.89 FUT8 (0.46) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12589891 0.89 FUT8 (0.65) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL14500860 0.88 FUT8 (0.74) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13991093 0.83 FUT8 (0.48) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12589896 0.83 FUT8 (0.48) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13815201 0.83 FUT8 (0.58) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12589892 0.83 FUT8 (0.58) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12878724 0.83 FUT8 (0.48) FUT8CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL13513117 0.83 FUT8 (0.48) FUT8CYP1A2ALDH1A1MEN1KMT2A

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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