SCHEMBL15955642

SCHEMBL15955642

O=[N+]([O-])c1c(Cl)cc(Sc2c(Cl)cccc2Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
USP7 Q93009 2/20 0.45
USP47 Q96K76 1/20 0.45
PDE7A Q13946 5/20 0.40
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSP90AA1 P07900 2/20 0.37
PDE7B Q9NP56 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL15955737 0.81 PDE7A (0.55) ALDH1A1TSHRUSP47PDE7ALMNA
SCHEMBL670917 0.77 TSHR (0.58) ALDH1A1TSHRLMNATDP1GRIN2D
SCHEMBL15955635 0.75 LMNA (0.49) ALDH1A1TSHRPDE7ALMNATDP1
SCHEMBL15955631 0.74 PDE7A (0.46) ALDH1A1TSHRPDE7ALMNATDP1
SCHEMBL15955575 0.74 TSHR (0.52) ALDH1A1TSHRPDE7ALMNATDP1
SCHEMBL15955878 0.72 ALDH1A1 (0.41) ALDH1A1TSHRPDE7A
SCHEMBL15955714 0.71 MAPT (0.46) ALDH1A1TSHRPDE7ALMNAMAPT
SCHEMBL15955833 0.70 ALDH1A1 (0.43) ALDH1A1TSHRPDE7ALMNATDP1
SCHEMBL28285744 0.70 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1GRIN2D
SCHEMBL15956795 0.69 ALDH1A1 (0.50) ALDH1A1TSHRTDP1GRIN2DGRIN3B

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-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed