SCHEMBL13101210

SCHEMBL13101210

C=Cc1ccc(S(=O)(=O)C(C)[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
KCNH2 Q12809 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
EGFR P00533 1/20 0.30
TSHR P16473 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL7589008 0.80 TDP1 (0.55) TDP1ALDH1A1HTR2AHTR2CKCNH2
SCHEMBL12891205 0.80 TDP1 (0.55) TDP1ALDH1A1HTR2AHTR2CKCNH2
SCHEMBL7168039 0.78 KMT2A (0.42) TDP1ALDH1A1TSHR
SCHEMBL27973771 0.78 GAA (0.46) ALDH1A1
SCHEMBL28063802 0.77 PSEN1 (0.45) ALDH1A1
SCHEMBL13101213 0.77 TDP1 (0.52) TDP1ALDH1A1HTR2AHTR2CKCNH2
SCHEMBL12722557 0.76 TDP1 (0.47) TDP1ALDH1A1EGFRTSHRFBP1
SCHEMBL13101211 0.75 TDP1 (0.46) TDP1ALDH1A1HTR2AHTR2CKCNH2
SCHEMBL13112963 0.72 TDP1 (0.52) TDP1ALDH1A1HTR2AHTR2CKCNH2
SCHEMBL27973913 0.72 TAS2R14 (0.47) TDP1ALDH1A1TSHRFBP1

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-20100273931-A1 DECARBOXYLATING BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed