SCHEMBL8401150

SCHEMBL8401150

CNC(=N)Nc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.46
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIK1 P39086 1/20 0.36
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL6154735 0.87 SIGMAR1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719463 0.81 SIGMAR1 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6716825 0.79 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720347 0.77 MAPT (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720666 0.77 MAPT (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4076514 0.76 SMN1; SMN2 (0.73) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL21645383 0.76 SIGMAR1 (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154964 0.76 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8332997 0.75 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724652 0.73 HSD17B10 (0.46) SIGMAR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed