SCHEMBL14379261

SCHEMBL14379261

CC(=O)Nc1cc(Nc2nc(F)nc(NCCCNc3nc(F)nc(Nc4ccc(/N=N/c5cc(SOOO)c6cccc(S(=O)(=O)O)c6c5)c(NC(C)=O)c4)n3)n2)ccc1/N=N/c1cc(S(=O)(=O)O)c2cccc(SOOO)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 1/20 0.36
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ PTPN11 Q06124 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL13881108 0.90 ATIC (0.42) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13823097 0.80 ATIC (0.36) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13998612 0.79 FUT8 (0.37) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13604282 0.73 ENPP2 (0.33) PTPN11
SCHEMBL2205292 0.73 SENP2 (0.43) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL3699998 0.72 SUMO2 (0.48) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL29374241 0.72 SUMO2 (0.48) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL3644496 0.72 SUMO2 (0.48) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL17323125 0.72 ATIC (0.40) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL14063436 0.72 SENP2 (0.58) ATICSUMO2SUMO1SENP7SENP2

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-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
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