SCHEMBL9132078

SCHEMBL9132078

Nc1ccc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.54
▸ SENP2 Q9HC62 4/20 0.50
▸ SUMO2 P61956 3/20 0.50
▸ SUMO1 P63165 3/20 0.50
▸ SENP7 Q9BQF6 3/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ APP P05067 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SENP1 Q9P0U3 2/20 0.46
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45

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
SCHEMBL17284072 0.86 SENP2 (0.56) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL13980959 0.86 CASP6 (0.47) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17681933 0.84 SENP2 (0.56) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL9626720 0.83 NT5E (0.51) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL9809359 0.83 NT5E (0.51) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17460958 0.82 ENPP2 (0.56) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL19250605 0.82 CD40 (0.63) ENPP2CD40CD40LGCASP6
SCHEMBL31149837 0.81 SENP2 (0.54) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL8027317 0.81 ENPP2 (0.55) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17460973 0.80 MEN1 (0.50) ENPP2SENP2SUMO2SUMO1SENP7

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-5446201-A Di(3-(2-chloroethylsulfonyl)-1-propyl)amine hydrochloride and a process for its preparation HOECHST AG (DE) 1995-08-29 — — US disclosed
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