SCHEMBL13112901

SCHEMBL13112901

O=Cc1ccc(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 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 5/20 0.43
▸ ENPP2 Q13822 3/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ SERPINE1 P05121 4/20 0.36
▸ ENPP3 O14638 1/20 0.35
▸ ENTPD3 O75355 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ CBX7 O95931 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
SCHEMBL13100902 0.93 TIMP3 (0.47) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13113034 0.93 ENPP2 (0.48) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13100900 0.89 TIMP3 (0.44) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13100907 0.89 TIMP3 (0.46) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13100897 0.88 ENPP2 (0.51) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13593480 0.86 ENPP2 (0.46) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL14257962 0.85 TIMP3 (0.41) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13100912 0.85 ENPP2 (0.53) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13100896 0.84 ENPP2 (0.47) TIMP3ENPP2MEN1KMT2ATDP1
SCHEMBL13112903 0.84 ENPP2 (0.42) TIMP3ENPP2MEN1KMT2ATDP1

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