SCHEMBL13456129

SCHEMBL13456129

CCN(CC)c1nc(C)c(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(Nc2cccc(P(=O)(O)O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ P2RX2 Q9UBL9 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ENPP2 Q13822 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ SNCA P37840 2/20 0.33
▸ FUT8 Q9BYC5 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL13456127 0.88 CA1 (0.42) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL13425396 0.87 PTPN11 (0.33) —
SCHEMBL14539752 0.77 P2RX3 (0.34) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL13425398 0.77 CA1 (0.36) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL14539751 0.70 P2RX3 (0.38) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL13456053 0.68 ALDH1A1 (0.40) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL26104577 0.67 CA1 (0.48) CA1CA2CA9SNCAENPP1
SCHEMBL13425399 0.67 TP53 (0.43) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL13456168 0.66 P2RX3 (0.38) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL10303418 0.63 CD40 (0.41) P2RX3MEN1KMT2AMAPTENPP2

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-20100068472-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-03-18 — — US disclosed
WO-2007045830-A2 YELLOW AZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-04-26 — — WO disclosed
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