SCHEMBL10693454

SCHEMBL10693454

Nc1cccc(Nc2ccc(N)cc2S(=O)(=O)CCS(=O)(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.57
ALDH1A1 P00352 5/20 0.57
GAA P10253 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.57
RECQL P46063 2/20 0.57
CASP6 P55212 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NSD2 O96028 1/20 0.57
APEX1 P27695 1/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
RAPGEF4 Q8WZA2 2/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ELAVL1 Q15717 1/20 0.48
GNG2 P59768 3/20 0.46
GNB1 P62873 3/20 0.46
NT5E P21589 1/20 0.44

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
SCHEMBL10696297 0.88 RAPGEF4 (0.68) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10389482 0.87 ALDH1A1 (0.49) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10693653 0.84 RAPGEF4 (0.59) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10693431 0.84 RAPGEF4 (0.59) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL9153370 0.83 ALDH1A1 (0.80) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10389480 0.80 RAPGEF4 (0.48) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10388839 0.80 RAPGEF4 (0.48) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10388837 0.80 L3MBTL1 (0.50) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL9878671 0.80 ALDH1A1 (0.51) TDP1ALDH1A1GAAKDM4EMAPT
SCHEMBL10389136 0.77 RAPGEF4 (0.45) TDP1ALDH1A1GAAKDM4EMAPT

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