SCHEMBL8401129

SCHEMBL8401129

CCOc1cccc(N=C(N)Nc2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
KMT2A Q03164 3/20 0.51
ADRA2A P08913 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CXCR4 P61073 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6721189 0.86 SIGMAR1 (0.65) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720949 0.81 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720839 0.81 SIGMAR1 (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6719157 0.80 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7377504 0.79 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724578 0.77 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8401127 0.77 KMT2A (0.57) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6720695 0.77 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6724316 0.76 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8500501 0.76 SIGMAR1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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