SCHEMBL8400920

SCHEMBL8400920

CCc1cccc(NC(=N)N)c1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
DHFR P00374 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CLCN2 P51788 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL10709645 0.87 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1720103 0.84 GAA (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8029769 0.84 MAPT (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15259641 0.83 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Pimagedine SCHEMBL4439083 0.80 GABRA1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15093896 0.80 HTT (0.53) MAPTALDH1A1GAADHFRGABRA1
SCHEMBL2018495 0.80 CLCN2 (0.47) MAPTALDH1A1GAADHFRGABRA1
SCHEMBL29580700 0.80 HTT (0.53) MAPTALDH1A1GAADHFRGABRA1
SCHEMBL4898635 0.80 LIPG (0.41) POLB
SCHEMBL3940043 0.79 MAPK1 (0.50) ALDH1A1GAACLCN2POLBCYP2C19

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 disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed