SCHEMBL15835809

SCHEMBL15835809

COc1cc(N=Nc2ccc(CCCOS(=O)(=O)O)cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(N)c(N=Nc2ccc(C)cc2)c(N)c(N=Nc2ccccc2)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.38
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ MAPT P10636 6/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 3/20 0.33
▸ PRMT3 O60678 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15835810 0.95 ENPP2 (0.40) ENPP2PHLPP2MAPTMAPK1KMT2A
SCHEMBL15835815 0.92 ENPP2 (0.41) ENPP2PHLPP2MAPTMAPK1KMT2A
SCHEMBL15835813 0.86 PHLPP2 (0.42) ENPP2PHLPP2MAPTMAPK1KMT2A
SCHEMBL15835811 0.86 PHLPP2 (0.36) ENPP2PHLPP2THRBPPARA
SCHEMBL16309282 0.85 ENPP2 (0.43) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL14684389 0.81 ENPP2 (0.43) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL14684461 0.81 ENPP2 (0.40) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL15835814 0.80 PHLPP2 (0.41) ENPP2PHLPP2ALDH1A1THRBPPARA
SCHEMBL14684541 0.79 ENPP2 (0.39) ENPP2PHLPP2MAPTNPC1HTT
SCHEMBL15835812 0.79 PHLPP2 (0.40) ENPP2PHLPP2MAPTKMT2AMEN1

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-20140173835-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2014-06-26 — — US disclosed
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