SCHEMBL12063080

SCHEMBL12063080

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ FUT8 Q9BYC5 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ ZAP70 P43403 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TTK P33981 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12054282 0.95 MAPT (0.39) ENPP2MEN1KMT2ATHRBMAPT
SCHEMBL18633387 0.90 ENPP2 (0.47) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL12054162 0.85 ENPP2 (0.36) ENPP2MEN1KMT2ATHRBMAPT
SCHEMBL13723654 0.84 KMT2A (0.47) ENPP2MEN1KMT2ATHRBMAPT
SCHEMBL12062857 0.79 ENPP2 (0.43) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL18633556 0.79 ENPP2 (0.42) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL13724001 0.78 MEN1 (0.53) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL12054249 0.78 TDP1 (0.45) MEN1KMT2AMAPTCA12CA1
SCHEMBL18633526 0.77 MEN1 (0.54) ENPP2MEN1KMT2ATHRBFUT8
SCHEMBL14494794 0.76 ENPP2 (0.40) ENPP2MEN1KMT2ATHRBFUT8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061844-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-15 — — EP disclosed
US-8083811-B2 Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2011-12-27 — — US disclosed
WO-2008055805-A1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2008-05-15 — — WO disclosed
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