SCHEMBL4335590

SCHEMBL4335590

CC(=O)Nc1cc(N)c(S(=O)(=O)O)cc1N=Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ CASP6 P55212 1/20 0.46
▸ NPC1 O15118 2/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA3 P07451 1/20 0.41
▸ P2RX3 P56373 2/20 0.40
▸ CA1 P00915 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ SENP3 Q9H4L4 2/20 0.36
▸ SENP2 Q9HC62 2/20 0.36

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
SCHEMBL4335578 1.00 ENPP2 (0.51) ENPP2CASP6NPC1CA2CA3
SCHEMBL2466211 0.85 MAPT (0.45) ENPP2CASP6NPC1CA2CA3
SCHEMBL11750629 0.85 ENPP2 (0.52) ENPP2CASP6NPC1CA2CA3
SCHEMBL9626814 0.81 ENPP2 (0.56) ENPP2CASP6NPC1CA2CA3
SCHEMBL13599497 0.81 ENPP2 (0.53) ENPP2CASP6NPC1CA2CA3
SCHEMBL13578944 0.80 ENPP2 (0.49) ENPP2CASP6NPC1CA2CA3
SCHEMBL13880623 0.78 ENPP2 (0.49) ENPP2CASP6NPC1CA2CA3
SCHEMBL13793399 0.78 ENPP2 (0.49) ENPP2CASP6NPC1CA2CA3
SCHEMBL13814056 0.77 PIK3C3 (0.44) ENPP2CASP6CA2CA3P2RX3
SCHEMBL10351169 0.77 ENPP2 (0.47) ENPP2CASP6NPC1CA2CA3

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-20090297795-A1 Ink-Jet Printing Using Disazo Dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-12-03 — — US disclosed
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