SCHEMBL9236858

SCHEMBL9236858

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.49
▸ CASP6 P55212 3/20 0.44
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ NSD2 O96028 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ ATIC P31939 1/20 0.39
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL5889361 1.00 ENPP2 (0.49) ENPP2CASP6CA2CA3NSD2
SCHEMBL8047831 1.00 ENPP2 (0.49) ENPP2CASP6CA2CA3NSD2
SCHEMBL9236836 0.99 ENPP2 (0.48) ENPP2CASP6CA2CA3NSD2
SCHEMBL9238793 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL4699280 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL6030186 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL9238781 0.90 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL8780009 0.88 ENPP2 (0.51) ENPP2CASP6CA2CA3NSD2
SCHEMBL9236846 0.84 APEX1 (0.46) ENPP2CASP6CA2CA3ALDH1A1
SCHEMBL17681933 0.82 SENP2 (0.56) ENPP2CASP6NSD2DUSP3PTPN5

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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