SCHEMBL9011686

SCHEMBL9011686

C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(N)ccc4S(=O)(=O)O)c(O)c3c2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.52
▸ THRB P10828 1/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ PRMT1 Q99873 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DNASE1L3 Q13609 1/20 0.41
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39

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
SCHEMBL8070745 0.91 ENPP2 (0.56) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL10392756 0.91 ENPP2 (0.56) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL15671895 0.91 THRB (0.55) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL13763489 0.91 ENPP2 (0.51) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL8816868 0.88 ENPP2 (0.54) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL8816878 0.88 ENPP2 (0.54) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL8771735 0.87 ENPP2 (0.66) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL8128621 0.87 PRMT1 (0.58) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL8128624 0.87 PRMT1 (0.58) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL10393846 0.87 PRMT1 (0.58) ENPP2THRBCYP1A2PHLPP2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8109338-A — — None — — JP disclosed
JP-H08109338-A WATER-SOLUBLE DISAZO COMPOUND, PREPARATION THEREOF, AND USE THEREOF AS DYE HOECHST AG 1996-04-30 — — JP disclosed
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