SCHEMBL9238793

SCHEMBL9238793

NC(=O)Nc1cc(N)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O.[Na].[Na].[Na]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ ENPP2 Q13822 5/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ SUMO2 P61956 2/20 0.37
▸ SUMO1 P63165 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP2 Q9HC62 2/20 0.37
▸ ATIC P31939 1/20 0.37

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
SCHEMBL4699280 1.00 NT5E (0.41) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL6030186 1.00 NT5E (0.41) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9238781 0.99 NT5E (0.41) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL5889361 0.91 ENPP2 (0.49) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8047831 0.91 ENPP2 (0.49) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9236858 0.91 ENPP2 (0.49) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9236836 0.90 ENPP2 (0.48) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10350679 0.88 NT5E (0.41) NT5EENPP2CD40CD40LGMEN1
SCHEMBL10350681 0.88 NT5E (0.41) NT5EENPP2CD40CD40LGMEN1
Ammonia Solution, Strong SCHEMBL10350739 0.87 NT5E (0.43) NT5ECASP6ENPP2CD40CD40LG

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
EP-0681006-A1 Process for continuously reacting organic dyestuffs containing amino groups with trifluorotriazine HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-08 — — EP disclosed
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