SCHEMBL14539751

SCHEMBL14539751

CCN(CC)c1nc(N)c(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(CI)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ SUMO2 P61956 2/20 0.36
▸ SUMO1 P63165 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP2 Q9HC62 2/20 0.36
▸ SENP3 Q9H4L4 1/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ THRB P10828 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
SCHEMBL13456053 0.88 ALDH1A1 (0.40) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13456168 0.85 P2RX3 (0.38) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13456127 0.77 CA1 (0.42) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13456088 0.75 MEN1 (0.46) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13425424 0.73 PTPN11 (0.32) P2RX3MEN1KMT2ATDP1KDM4E
SCHEMBL13425394 0.72 PTPN11 (0.38) ALDH1A1PTPN11
SCHEMBL13456087 0.71 P2RX3 (0.39) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13425385 0.70 P2RX3 (0.38) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13814051 0.70 P2RX3 (0.40) P2RX3ALDH1A1MEN1KMT2ATDP1
SCHEMBL13456129 0.70 P2RX3 (0.39) P2RX3ALDH1A1MEN1KMT2ATDP1

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-2007045830-A2 YELLOW AZO DYES FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-04-26 — — WO disclosed
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