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SCHEMBL14193671

SCHEMBL14193671

Cc1cc(=O)nc(NC(=O)Nc2ccc(SOOO)c(/N=N/c3c(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5cc(NC(=O)Nc6nc(=O)cc(C)[nH]6)ccc5S(=O)(=O)O)c(O)c4c3N)c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.35
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ PRMT3 O60678 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL13135043 0.98 ENPP2 (0.34) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14193715 0.92 ENPP2 (0.31) ENPP2
SCHEMBL13135075 0.90 — —
SCHEMBL14223300 0.88 ENPP2 (0.41) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL13174626 0.86 ENPP2 (0.38) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14193701 0.85 PRMT3 (0.40) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL15763834 0.80 ENPP2 (0.36) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL18466317 0.79 ENPP2 (0.44) ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14193698 0.79 ENPP2 (0.42) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL14021970 0.78 FUT8 (0.48) ENPP2PRMT1MEN1HTTKMT2A

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-7355044-B2 Self-assembling dyes AGFA-GEVAERT N.V. (BE) 2008-04-08 — — US disclosed
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