SCHEMBL9283263

SCHEMBL9283263

NC(=Nc1ccc2c3c(cccc13)-c1ccccc1-2)Nc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.64
SIGMAR1 Q99720 14/20 0.56
GRIN2D O15399 8/20 0.56
GRIN3B O60391 8/20 0.56
GRIN1 Q05586 8/20 0.56
GRIN2A Q12879 8/20 0.56
GRIN2B Q13224 8/20 0.56
GRIN2C Q14957 8/20 0.56
GRIN3A Q8TCU5 8/20 0.56
PABPC1 P11940 2/20 0.45
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL6155032 0.79 SCN2A (0.64) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4985451 0.74 SIGMAR1 (0.50) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL9283258 0.73 PABPC1 (0.54) SIGMAR1PABPC1CRHBPCRHR2KEAP1
SCHEMBL1273875 0.72 SIGMAR1 (1.00) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL5055196 0.71 PABPC1 (0.53) SIGMAR1PABPC1CRHBPCRHR2KEAP1
Hydrochloric Acid SCHEMBL9438295 0.71 SIGMAR1 (0.97) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6628883 0.70 PABPC1 (0.59) PABPC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL4977834 0.70 SCN2A (0.74) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL28682214 0.69 CYP1A2 (0.65) PABPC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL30358056 0.69 SCN2A (1.00) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1

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
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed