SCHEMBL10691497

SCHEMBL10691497

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)CCS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.57
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
GFER P55789 2/20 0.46
ATM Q13315 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.43
TBXA2R P21731 7/20 0.42
MAPK1 P28482 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
CASP6 P55212 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ELAVL1 Q15717 1/20 0.39
NSD2 O96028 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
SCHEMBL11104382 0.89 NT5E (0.70) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10693431 0.85 RAPGEF4 (0.59) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10347230 0.84 NT5E (0.61) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL11110261 0.80 NT5E (0.69) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10388844 0.80 POLB (0.43) NT5EMAPTMEN1KMT2ATDP1
SCHEMBL10703629 0.78 NT5E (0.65) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10708423 0.78 NT5E (0.66) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL10881471 0.78 NT5E (0.66) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL2032113 0.78 NT5E (0.85) NT5EMAPTMEN1KMT2AKDM4E
SCHEMBL9744729 0.77 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
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed