SCHEMBL14684529

SCHEMBL14684529

COc1cc(N=Nc2ccc([SH](=O)=O)cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(N)c(N=Nc2ccccc2S(=O)(=O)O)c(N)c(N=Nc2ccc([SH](=O)=O)cc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.42
▸ PHLPP2 Q6ZVD8 3/20 0.37
▸ MAPT P10636 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PRMT3 O60678 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL14684541 0.98 ENPP2 (0.39) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL14684389 0.97 ENPP2 (0.43) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL14684461 0.96 ENPP2 (0.40) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL14684403 0.91 PHLPP2 (0.40) ENPP2PHLPP2MAPTMEN1ALDH1A1
SCHEMBL14684391 0.89 PHLPP2 (0.44) ENPP2PHLPP2MAPTMEN1ALDH1A1
SCHEMBL14684530 0.89 PHLPP2 (0.40) ENPP2PHLPP2MAPTMEN1ALDH1A1
SCHEMBL16309282 0.80 ENPP2 (0.43) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL15835809 0.79 ENPP2 (0.38) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL15835815 0.77 ENPP2 (0.41) ENPP2PHLPP2MAPTCA2CA3
SCHEMBL22413438 0.76 PHLPP2 (0.50) ENPP2PHLPP2MAPTMEN1ALDH1A1

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-2013017331-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-02-07 — — WO disclosed
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