SCHEMBL9653333

SCHEMBL9653333

Cc1c[c]c([N+](=O)[O-])c(C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7470886 0.77 ALDH1A1 (0.36) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL5474301 0.74 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1ALDH1A1GRIN2D
SCHEMBL27913899 0.74 TSHR (0.38) TSHRSMN1; SMN2TDP1ALDH1A1GRIN2D
SCHEMBL9651909 0.73 TDP1 (0.36) TSHRSMN1; SMN2TDP1ALDH1A1GRIN2D
SCHEMBL457836 0.72 TSHR (0.44) TSHRSMN1; SMN2TDP1ALDH1A1CYP1A2
SCHEMBL15064034 0.68 TSHR (0.40) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL27584896 0.68 CTSB (0.32) SMN1; SMN2ALDH1A1
SCHEMBL4217840 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3393444 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3396412 0.66 ALDH1A1 (0.30) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed