SCHEMBL10350681

SCHEMBL10350681

[NH]c1ccc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(NC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.41
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ THRB P10828 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ENPP2 Q13822 7/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ DNASE1L3 Q13609 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP3 Q9H4L4 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34

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
SCHEMBL10350679 1.00 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL9238793 0.88 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL6030186 0.88 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL4699280 0.88 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL9238781 0.88 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A
Ammonia Solution, Strong SCHEMBL10350739 0.86 NT5E (0.43) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL13302234 0.86 NT5E (0.47) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL8124969 0.82 NT5E (0.40) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL7778365 0.82 NT5E (0.40) NT5ECD40CD40LGMEN1KMT2A
SCHEMBL6747120 0.82 NT5E (0.41) NT5ECD40CD40LGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772323-A IMPROVED STORAGE AND EJECTION STABILITY CANON KABUSHIKI KAISHA (JP) 1988-09-20 — — US claimed
EP-0219232-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-29 — — EP disclosed
US-4772323-A IMPROVED STORAGE AND EJECTION STABILITY CANON KABUSHIKI KAISHA (JP) 1988-09-20 — — US disclosed
US-4758658-A Water-soluble formazan dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-19 — — US disclosed
EP-0219232-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-22 — — EP disclosed
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