SCHEMBL14257957

SCHEMBL14257957

O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cc([SH](=O)=O)cc(S(=O)(=O)O)c4c3)cc2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.42
▸ SERPINE1 P05121 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TIMP3 P35625 1/20 0.38
▸ LTC4S Q16873 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ PRSS12 P56730 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ GRIK1 P39086 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL14257806 0.90 ENPP2 (0.35) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13100897 0.88 ENPP2 (0.51) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13100896 0.84 ENPP2 (0.47) ENPP2MEN1KMT2ATIMP3LTC4S
SCHEMBL13100902 0.82 TIMP3 (0.47) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13100907 0.80 TIMP3 (0.46) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13100900 0.78 TIMP3 (0.44) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13112901 0.76 TIMP3 (0.43) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13100912 0.76 ENPP2 (0.53) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL13593480 0.76 ENPP2 (0.46) ENPP2SERPINE1MEN1KMT2ATIMP3
SCHEMBL14257962 0.75 TIMP3 (0.41) ENPP2SERPINE1MEN1KMT2ATIMP3

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
WO-2008025949-A1 INK-JET PRINTING PROCESS, INK AND COLORANT FUJIFILM IMAGING COLORANTS LIMITED (GB) 2008-03-06 — — WO disclosed
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