SCHEMBL27925587

SCHEMBL27925587

Nc1ccc(N2C[CH]CCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ UBE2T Q9NPD8 1/20 0.41
▸ CNR2 P34972 9/20 0.38
▸ MAPT P10636 3/20 0.37
▸ OGA O60502 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL940331 0.82 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29739677 0.82 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL241019 0.82 UBE2T (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29377723 0.82 UBE2T (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL922771 0.80 UBE2T (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2744803 0.80 UBE2T (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1100518 0.80 UBE2T (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29739351 0.80 UBE2T (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13519197 0.80 HRH3 (0.40) UBE2TMAPTALDH1A1NPSR1LMNA
SCHEMBL28666230 0.80 MAPT (0.37) UBE2TCNR2MAPTALDH1A1NPSR1

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-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 — — CN disclosed
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