SCHEMBL11101556

SCHEMBL11101556

ClO/N=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.51
▸ GRIN3B O60391 2/20 0.51
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2B Q13224 2/20 0.51
▸ GRIN2C Q14957 2/20 0.51
▸ GRIN3A Q8TCU5 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ AMY1A P0DUB6 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GUSB P08236 1/20 0.45
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL11101559 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1096525 0.84 TP53 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8220455 0.82 MAPT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10041862 0.82 MAPT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28617456 0.81 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28611282 0.81 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1806034 0.77 AR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1806039 0.77 AR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28618300 0.75 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4049047 0.75 MAPT (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200970-A Osthole isoxazoline derivatives, and preparation method and application thereof 郑州大学 2021-08-03 — — CN disclosed
EP-0013111-B1 3'-(SUBSTITUTED PHENYL)-SPIRO(ISOBENZOFURAN-1(3H),5'(4'H)-ISOXAZOL)-3-ONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS HERBICIDES AND PLANT GROWTH REGULANTS AND THEIR APPLICATION TO THE PREPARATION OF ISOXAZOLE DERIVATIVES MONSANTO COMPANY (US) 1984-02-22 — — EP disclosed
US-4401457-A 3'-(Substituted phenyl)-spiro[isobenzofuran-1(3H),5'(4'H)-isoxazol]-3-ones and their use as herbicides MONSANTO COMPANY (US) 1983-08-30 — — US disclosed
US-4364768-A FOR LEGUMES MONSANTO COMPANY (US) 1982-12-21 — — US disclosed
EP-0013111-A2 3'-(substituted phenyl)-spiro(isobenzofuran-1(3H),5'(4'H)-isoxazol)-3-ones, process for their preparation, their use as herbicides and plant growth regulants and their application to the preparation of isoxazole derivatives MONSANTO COMPANY (US) 1980-07-09 — — EP disclosed
US-4209629-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-06-24 — — US disclosed
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