SCHEMBL13744512

SCHEMBL13744512

COc1cc(N=Nc2c(S(=O)(=O)O)cc3c(N=Nc4cc(OC)c(N=Nc5ccc(S(=O)(=O)C(C)OS(=O)(=O)O)cc5S(=O)(=O)O)cc4S(=O)(=O)O)c(N)ccc3c2O)c(S(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)C(C)OS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.45
▸ PHLPP2 Q6ZVD8 2/20 0.45
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SLC10A1 Q14973 1/20 0.39

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
SCHEMBL13744450 0.98 ENPP2 (0.46) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL14040907 0.94 ENPP2 (0.46) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL13744504 0.94 ENPP2 (0.46) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL14499145 0.93 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL13744578 0.89 PHLPP2 (0.44) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL17384282 0.82 ENPP2 (0.46) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL13196221 0.81 ENPP2 (0.45) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL18652606 0.80 ENPP2 (0.38) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL15985946 0.79 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AKDM4E
SCHEMBL14388815 0.79 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572301-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2009-08-11 — — US disclosed
US-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 — — US disclosed
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