SCHEMBL15035474

SCHEMBL15035474

O=[SH](=O)c1cccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cc(Nc6nc(Cl)nc(Nc7cc(S(=O)(=O)O)cc8cc(S(=O)(=O)O)c(/N=N/c9ccc%10c(S(=O)(=O)O)cccc%10c9S(=O)(=O)O)c(O)c78)n6)ccc5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.65
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ ENPP2 Q13822 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRMT1 Q99873 2/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ CHAT P28329 2/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL15035667 0.91 FUT8 (0.79) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13455170 0.90 FUT8 (0.77) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL15036163 0.90 FUT8 (0.55) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685452 0.89 FUT8 (0.67) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8974959 0.87 FUT8 (0.69) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685366 0.86 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685379 0.86 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL25592672 0.86 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL12955141 0.86 FUT8 (0.64) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL17484228 0.85 FUT8 (0.70) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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
EP-2049600-B1 RED REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADV MAT SWITZERLAND (CH) 2013-06-19 — — EP disclosed
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