SCHEMBL7226325

SCHEMBL7226325

N=C(Cl)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38
HPGD P15428 1/20 0.38
TLR8 Q9NR97 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4833152 0.84 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31441001 0.84 ALDH1A1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL206197 0.81 TSHR (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11002006 0.81 LMNA (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19213270 0.81 CES2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16955218 0.80 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL10824597 0.80 TSHR (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1625522 0.79 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8887009 0.79 KMT2A (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL670917 0.78 TSHR (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-6653326-B1 For example, N-(2-hydroxy-3-(1-piperidinyl)propoxy)-3-pyridinecarboximidoyl chloride maleate; inducing gene expression of an eukaryotic cell under physiological stress; antiallergens; autoimmune diseases; cardiovascular disorders BIOREX RESEARCH & DEVELOPMENT CO. (HU) 2003-11-25 US disclosed