SCHEMBL11110261

SCHEMBL11110261

Nc1cc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.69
▸ MAPT P10636 6/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ GFER P55789 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ RAPGEF4 Q8WZA2 1/20 0.51
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ CASP6 P55212 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ELAVL1 Q15717 1/20 0.47
▸ TBXA2R P21731 7/20 0.47
▸ NSD2 O96028 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL11104382 0.91 NT5E (0.70) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10880062 0.89 NT5E (0.65) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10882284 0.89 NT5E (0.65) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10881471 0.88 NT5E (0.66) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10708423 0.88 NT5E (0.66) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL2032113 0.87 NT5E (0.85) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10707915 0.86 NT5E (0.61) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10706902 0.84 NT5E (0.62) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL5682018 0.84 NT5E (0.61) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10347230 0.84 NT5E (0.61) NT5EMAPTMEN1KMT2AKDM4E

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-0128316-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 — — EP disclosed
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