SCHEMBL9519907

SCHEMBL9519907

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)cc(O)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPRT1 P00492 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 4/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
AHR P35869 1/20 0.37
P2RX1 P51575 1/20 0.37
MEN1 O00255 3/20 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
SCHEMBL9812827 0.72 ALOX5 (0.58) TSHRALDH1A1ALOX5LMNASMN1; SMN2
SCHEMBL4749166 0.71 TSHR (0.47) TSHRALDH1A1HPRT1LMNASMN1; SMN2
SCHEMBL10975392 0.70 HPRT1 (0.51) TSHRALDH1A1HPRT1GRIN2DGRIN3B
SCHEMBL29136385 0.68 HPRT1 (0.49) TSHRALDH1A1HPRT1GRIN2DGRIN3B
SCHEMBL9337605 0.67 MAPT (0.38) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7607838 0.66 TSHR (0.72) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL11589863 0.66 TSHR (0.59) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL31451911 0.66 ALDH1A1 (0.53) TSHRALDH1A1ALOX5LMNASMN1; SMN2
SCHEMBL13982827 0.66 MAPK1 (0.53) TSHRALDH1A1LMNAMAPTP2RX1
SCHEMBL13982830 0.66 MAPT (0.53) TSHRALDH1A1LMNASMN1; SMN2MAPT

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
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed