SCHEMBL14684541

SCHEMBL14684541

COc1cc(N=Nc2ccc([SH](=O)=O)cc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(N)c(N=Nc2ccccc2)c(N)c(N=Nc2ccccc2S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.39
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PHLPP2 Q6ZVD8 3/20 0.36
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ SENP1 Q9P0U3 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 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
SCHEMBL14684529 0.98 ENPP2 (0.42) ENPP2MAPTNPC1HTTPHLPP2
SCHEMBL14684461 0.98 ENPP2 (0.40) ENPP2MAPTNPC1HTTPHLPP2
SCHEMBL14684389 0.96 ENPP2 (0.43) ENPP2MAPTNPC1HTTPHLPP2
SCHEMBL14684403 0.89 PHLPP2 (0.40) ENPP2MAPTPHLPP2SUMO2SUMO1
SCHEMBL14684391 0.87 PHLPP2 (0.44) ENPP2MAPTPHLPP2SUMO2SUMO1
SCHEMBL14684530 0.86 PHLPP2 (0.40) ENPP2MAPTPHLPP2SUMO2SUMO1
SCHEMBL16309282 0.79 ENPP2 (0.43) ENPP2MAPTNPC1HTTPHLPP2
SCHEMBL15835809 0.79 ENPP2 (0.38) ENPP2MAPTNPC1HTTPHLPP2
SCHEMBL15835815 0.76 ENPP2 (0.41) ENPP2MAPTPHLPP2MEN1ALDH1A1
SCHEMBL22413438 0.75 PHLPP2 (0.50) ENPP2MAPTPHLPP2SUMO2SUMO1

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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