SCHEMBL13991093

SCHEMBL13991093

O=C(O)c1cc(S(=O)(=O)O)ccc1Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(SOOO)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.48
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CYP1A2 P05177 5/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ENPP2 Q13822 2/20 0.35
▸ HIF1A Q16665 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTPRA P18433 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL12589896 1.00 FUT8 (0.48) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL14016328 0.95 FUT8 (0.41) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL13991107 0.94 FUT8 (0.46) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL14020931 0.91 FUT8 (0.52) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL14071634 0.91 FUT8 (0.52) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL13991090 0.89 FUT8 (0.62) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL12646747 0.88 FUT8 (0.62) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL13991393 0.88 FUT8 (0.62) FUT8MEN1KMT2ARXFP1CYP1A2
SCHEMBL12136687 0.85 FUT8 (0.56) FUT8MEN1KMT2ACYP1A2CYP2C9
SCHEMBL12589894 0.84 FUT8 (0.45) FUT8MEN1KMT2ACYP1A2CYP2C9

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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