SCHEMBL13100897

SCHEMBL13100897

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.51
▸ TIMP3 P35625 5/20 0.50
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ HPSE Q9Y251 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ENTPD3 O75355 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ CBX7 O95931 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL13100896 0.96 ENPP2 (0.47) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13100902 0.94 TIMP3 (0.47) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13100907 0.91 TIMP3 (0.46) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13100900 0.90 TIMP3 (0.44) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL14257957 0.88 ENPP2 (0.42) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13112901 0.88 TIMP3 (0.43) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13593480 0.87 ENPP2 (0.46) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL14257962 0.86 TIMP3 (0.41) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13100912 0.86 ENPP2 (0.53) ENPP2TIMP3KMT2AMEN1TDP1
SCHEMBL13113034 0.80 ENPP2 (0.48) ENPP2TIMP3KMT2AMEN1TDP1

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 2 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
US-20100272896-A1 Ink-Jet Printing Process, Ink and Colorant FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-10-28 — — US disclosed
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