SCHEMBL13991457

SCHEMBL13991457

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

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.78
▸ ENPP2 Q13822 6/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ PRMT1 Q99873 1/20 0.46
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ THRB P10828 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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 0.89 FUT8 (0.90) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL8072638 0.89 FUT8 (0.90) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL13991393 0.89 FUT8 (0.62) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL12646747 0.89 FUT8 (0.62) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL13991090 0.89 FUT8 (0.62) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL30065554 0.89 FUT8 (0.95) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14529440 0.89 FUT8 (0.95) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL31474592 0.88 FUT8 (1.00) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL13474896 0.88 FUT8 (1.00) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL12646577 0.85 FUT8 (0.83) FUT8ENPP2CYP1A2CYP2C9MAPK1

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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