SCHEMBL11878124

SCHEMBL11878124

CN=C(N)Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.76
GRIN3B O60391 3/20 0.76
GRIN1 Q05586 3/20 0.76
GRIN2A Q12879 3/20 0.76
GRIN2B Q13224 3/20 0.76
GRIN2C Q14957 3/20 0.76
GRIN3A Q8TCU5 3/20 0.76
SIGMAR1 Q99720 3/20 0.76
ALDH1A1 P00352 7/20 0.59
HTT P42858 4/20 0.56
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51

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
SCHEMBL5520652 0.83 MAPT (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11876436 0.82 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5532892 0.82 ALDH1A1 (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6720615 0.81 SIGMAR1 (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8873287 0.80 SIGMAR1 (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4490833 0.80 ALDH1A1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3271853 0.80 ALDH1A1 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Nitric Acid SCHEMBL3858360 0.79 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874642 0.79 SIGMAR1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1285405 0.78 HTT (0.74) 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-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 US disclosed