SCHEMBL8029889

SCHEMBL8029889

O=[N+]([O-])c1ccc(Cl)c(COSCl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
VCAM1 P19320 5/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PDE7A Q13946 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
FBP1 P09467 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8020433 0.86 TDP1 (0.50) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL6640405 0.76 TDP1 (0.62) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL6961763 0.76 TDP1 (0.49) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL10045566 0.76 TDP1 (0.49) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL4922982 0.75 TDP1 (0.60) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL6576203 0.75 TDP1 (0.60) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL6646572 0.75 TDP1 (0.60) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL5042301 0.72 TDP1 (0.56) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL31514206 0.72 TDP1 (0.56) TDP1MAPK1TSHRVCAM1ALDH1A1
SCHEMBL5035521 0.71 TDP1 (0.55) TDP1MAPK1TSHRVCAM1ALDH1A1

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
WO-2000069435-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-23 WO disclosed