SCHEMBL16838467

SCHEMBL16838467

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(Nc3ccccc3)ccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ THRB P10828 2/20 0.36
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ PTPN1 P18031 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ FUT8 Q9BYC5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL16838421 0.91 PHLPP2 (0.39) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL18675793 0.90 ENPP2 (0.39) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL18684953 0.89 ENPP2 (0.39) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL14388815 0.86 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL16838465 0.86 ENPP2 (0.40) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL15985946 0.86 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL14388945 0.85 PTPN1 (0.42) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL16838425 0.85 PHLPP2 (0.41) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL16838464 0.85 ENPP2 (0.40) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL14388921 0.84 ENPP2 (0.41) ENPP2PHLPP2MEN1KMT2ATHRB

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-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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