SCHEMBL14388944

SCHEMBL14388944

COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(N)ccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.48
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ PRMT1 Q99873 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL17384282 0.96 ENPP2 (0.46) ENPP2PHLPP2PRMT1MEN1KMT2A
SCHEMBL15985946 0.93 ENPP2 (0.44) ENPP2PHLPP2PRMT1MEN1KMT2A
SCHEMBL14388815 0.93 ENPP2 (0.44) ENPP2PHLPP2PRMT1MEN1KMT2A
SCHEMBL15671908 0.92 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2ATDP1
SCHEMBL15985943 0.91 ENPP2 (0.43) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL14388952 0.91 ENPP2 (0.43) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL14388921 0.89 ENPP2 (0.41) ENPP2PHLPP2PRMT1MEN1KMT2A
SCHEMBL18684946 0.89 ENPP2 (0.41) ENPP2PHLPP2PRMT1MEN1KMT2A
SCHEMBL14546996 0.89 THRB (0.45) ENPP2PHLPP2THRBHSD17B10SUMO2
SCHEMBL14388847 0.89 THRB (0.45) ENPP2PHLPP2THRBHSD17B10SUMO2

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-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
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