SCHEMBL30133177

SCHEMBL30133177

CCCc1cccc(NBr)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NLRP3 Q96P20 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.38
P2RY4 P51582 1/20 0.37
HTR6 P50406 1/20 0.36
KIF11 P52732 1/20 0.36
AOC3 Q16853 1/20 0.36
KAT6A Q92794 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
SCHEMBL29196033 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28049042 0.83 RAPGEF4 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30012057 0.83 RAPGEF4 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8221872 0.82 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27516898 0.80 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11585925 0.80 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2074247 0.78 SIGMAR1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1406273 0.78 MAPT (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL380954 0.78 CNR1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12369337 0.77 SIGMAR1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-115417773-A Dendritic structure compound and compound thereof, and organic electroluminescent device 中国科学院长春应用化学研究所 2022-12-02 CN disclosed