SCHEMBL9627296

SCHEMBL9627296

NC(=O)Nc1cc(N)ccc1N=Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ ENPP2 Q13822 3/20 0.43
▸ PRMT1 Q99873 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ NT5E P21589 2/20 0.40
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ APEX1 P27695 3/20 0.38
▸ CASP6 P55212 3/20 0.37
▸ NSD2 O96028 2/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 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
SCHEMBL11337114 0.85 ENPP2 (0.43) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL9238793 0.85 NT5E (0.41) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL6030186 0.85 NT5E (0.41) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL4699280 0.85 NT5E (0.41) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL9238781 0.84 NT5E (0.41) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL11424803 0.84 ENPP2 (0.43) MEN1KMT2ATHRBENPP2NT5E
SCHEMBL11425279 0.80 ALDH1A1 (0.44) MEN1KMT2ATHRBENPP2CYP1A2
SCHEMBL9626874 0.78 ENPP2 (0.47) MEN1KMT2AENPP2CYP1A2SUMO2
SCHEMBL9626740 0.78 ENPP2 (0.47) MEN1KMT2AENPP2CYP1A2SUMO2
SCHEMBL5840682 0.78 ENPP2 (0.51) MEN1KMT2ATHRBENPP2CYP1A2

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-5081296-A Fiber-Reactive Dyes Intermediates CIBA-GEIGY CORPORATION (US) 1992-01-14 — — US disclosed
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