SCHEMBL13100906

SCHEMBL13100906

O=C(Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1C(=O)O)c1ccc(C(=O)Nc2ccc(/N=N/c3cc(S(=O)(=O)O)ccc3S(=O)(=O)O)cc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.46
▸ TIMP3 P35625 2/20 0.44
▸ ALB P02768 1/20 0.43
▸ PHLPP2 Q6ZVD8 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SERPINE1 P05121 4/20 0.41
▸ LTC4S Q16873 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39

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
SCHEMBL13112903 0.93 ENPP2 (0.42) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13100902 0.82 TIMP3 (0.47) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13100912 0.82 ENPP2 (0.53) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13112902 0.79 PHLPP2 (0.56) ENPP2PHLPP2ALDH1A1MEN1HTT
SCHEMBL13100900 0.78 TIMP3 (0.44) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13100907 0.78 TIMP3 (0.46) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13100897 0.77 ENPP2 (0.51) ENPP2TIMP3MAPTALDH1A1MEN1
SCHEMBL13112901 0.76 TIMP3 (0.43) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13113034 0.76 ENPP2 (0.48) ENPP2TIMP3ALBPHLPP2MAPT
SCHEMBL13593480 0.76 ENPP2 (0.46) ENPP2TIMP3ALBPHLPP2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272896-A1 Ink-Jet Printing Process, Ink and Colorant FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-10-28 — — US disclosed
EP-1920015-B1 INK-JET PRINTING PROCESS, INK AND COLORANT FUJIFILM IMAGING COLORANTS LTD (GB) 2009-12-23 — — EP disclosed
WO-2008025949-A1 INK-JET PRINTING PROCESS, INK AND COLORANT FUJIFILM IMAGING COLORANTS LIMITED (GB) 2008-03-06 — — WO disclosed
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