SCHEMBL11511648

SCHEMBL11511648

CC(=O)ONC(N)=NN=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 6/20 0.53
▸ GRIN3B O60391 6/20 0.53
▸ GRIN1 Q05586 6/20 0.53
▸ GRIN2A Q12879 6/20 0.53
▸ GRIN2B Q13224 6/20 0.53
▸ GRIN2C Q14957 6/20 0.53
▸ GRIN3A Q8TCU5 6/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.53
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FURIN P09958 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL11512886 0.85 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11512685 0.84 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11754270 0.78 NPSR1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11695628 0.75 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14197990 0.75 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28654689 0.74 NOS1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11512086 0.73 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL917459 0.73 MEN1 (0.56) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21461386 0.72 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17234237 0.72 GRIN2D (0.51) 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
US-4139555-A Recovery of (1-S)-2-oxo-bornane-10-sulphonate BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 — — US disclosed
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