SCHEMBL13302234

SCHEMBL13302234

CNc1ccc(/N=N/c2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(NC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ ENPP2 Q13822 12/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.35

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
SCHEMBL8779997 0.89 NT5E (0.42) NT5ECD40CD40LGENPP2MEN1
SCHEMBL4699280 0.87 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL6030186 0.87 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL9238793 0.87 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL6747120 0.86 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL13715770 0.86 NT5E (0.40) NT5ECD40CD40LGENPP2MEN1
SCHEMBL9238781 0.86 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL10350681 0.86 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
SCHEMBL10350679 0.86 NT5E (0.41) NT5ECD40CD40LGENPP2MEN1
Ammonia Solution, Strong SCHEMBL10350739 0.84 NT5E (0.43) NT5ECD40CD40LGENPP2MEN1

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-7745385-B2 Water-soluble pouch comprising a detergent composition THE PROCTER & GAMBLE COMPANY (US) 2010-06-29 — — US disclosed
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