SCHEMBL14546779

SCHEMBL14546779

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.48
▸ THRB P10828 3/20 0.44
▸ PHLPP2 Q6ZVD8 2/20 0.41
▸ SENP2 Q9HC62 5/20 0.39
▸ SUMO2 P61956 4/20 0.39
▸ SUMO1 P63165 4/20 0.39
▸ SENP7 Q9BQF6 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ APP P05067 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL14546775 1.00 ENPP2 (0.48) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546976 1.00 ENPP2 (0.48) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546777 0.95 ENPP2 (0.43) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546774 0.95 THRB (0.48) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546752 0.94 THRB (0.48) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546784 0.94 THRB (0.48) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL13880627 0.91 ENPP2 (0.52) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546768 0.89 ENPP2 (0.43) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL14546781 0.89 ENPP2 (0.43) ENPP2THRBPHLPP2SENP2SUMO2
SCHEMBL17109639 0.87 ENPP2 (0.48) ENPP2THRBPHLPP2SENP2SUMO2

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-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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