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SCHEMBL13425424

SCHEMBL13425424

CCN(CC)c1nc(N)c(/N=N/c2cc(S(=O)(=O)O)ccc2SOOO)c(N2CCN(c3nc(N(CC)CC)nc(N)c3/N=N/c3cc(SOOO)ccc3S(=O)(=O)O)CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL13456168 0.86 P2RX3 (0.38) P2RX3KDM4EMEN1MAPTHPGD
SCHEMBL13425394 0.81 PTPN11 (0.38) PTPN11
SCHEMBL13425428 0.78 PTPN11 (0.36) PTPN11P2RX3KDM4EMEN1MAPT
SCHEMBL13425398 0.75 CA1 (0.36) PTPN11P2RX3KDM4EMEN1MAPT
SCHEMBL13456053 0.73 ALDH1A1 (0.40) P2RX3KDM4EMEN1MAPTHPGD
SCHEMBL14539751 0.73 P2RX3 (0.38) PTPN11P2RX3KDM4EMEN1MAPT
SCHEMBL13425395 0.71 PTPN11 (0.46) PTPN11MEN1KMT2ATDP1
SCHEMBL13949394 0.70 MEN1 (0.40) PTPN11P2RX3KDM4EMEN1MAPT
SCHEMBL13802961 0.68 PTPN11 (0.46) PTPN11
SCHEMBL13425384 0.68 PTPN11 (0.42) PTPN11

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-20100068472-A1 Yellow Azo Dyes for Ink Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-03-18 — — US disclosed
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