SCHEMBL8305219

SCHEMBL8305219

CCc1cccc(NC(=N)N2Cc3cccc4cccc2c34)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SIGMAR1 Q99720 7/20 0.44
TP53 P04637 1/20 0.42
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
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
GLA P06280 1/20 0.39
AR P10275 1/20 0.38
CBR1 P16152 1/20 0.38

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
SCHEMBL6769814 0.95 GAA (0.42) GAASIGMAR1TP53GRIN2DGRIN3B
SCHEMBL8338426 0.84 DRD2 (0.42) GAASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL6925637 0.82 TRPV1 (0.39) GAATP53SMN1; SMN2HPGDMAPK1
SCHEMBL6925067 0.81 MAPT (0.44) GAATP53SMN1; SMN2HPGDMAPK1
SCHEMBL7069222 0.81 NPC1 (0.50) GAATP53HPGDMEN1KMT2A
SCHEMBL6768498 0.79 SIGMAR1 (0.55) GAASIGMAR1TP53SMN1; SMN2MAPT
SCHEMBL8301982 0.79 TRPV1 (0.40) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8300580 0.78 MAPT (0.49) GAASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8336529 0.76 MEN1 (0.45) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL8307416 0.74 POLB (0.44) GAATP53SMN1; SMN2HPGDMAPK1

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-0925300-A4 1999-06-30 EP disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO disclosed