SCHEMBL19982588

SCHEMBL19982588

Nc1cc(N)c(N=Nc2ccc(-c3ccc(N=Nc4cc(N=Nc5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)c(N)cc4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.59
▸ SENP2 Q9HC62 9/20 0.50
▸ SENP1 Q9P0U3 8/20 0.50
▸ SENP3 Q9H4L4 6/20 0.50
▸ SUMO2 P61956 6/20 0.50
▸ SUMO1 P63165 6/20 0.50
▸ SENP7 Q9BQF6 6/20 0.50
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATIC P31939 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APP P05067 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL15296966 0.94 PHLPP2 (0.54) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL9613351 0.87 PHLPP2 (0.53) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL9613364 0.87 SENP2 (0.50) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL9613279 0.87 SENP2 (0.51) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL15296879 0.85 SENP2 (0.49) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL29963642 0.85 PHLPP2 (0.62) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL9613349 0.82 ENPP2 (0.54) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL110924 0.81 SENP2 (0.60) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL1436156 0.81 SENP2 (0.60) PHLPP2SENP2SENP1SENP3SUMO2
SCHEMBL31099405 0.81 SENP2 (0.60) PHLPP2SENP2SENP1SENP3SUMO2

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
EP-3296362-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 — — EP disclosed
EP-3296363-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 — — EP disclosed
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