SCHEMBL11645277

SCHEMBL11645277

COC(=O)c1ccccc1C1CC(c2ccccc2)=NO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MIF P14174 5/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11642778 0.85 F10 (0.45) LMNATSHRMAPK10HTTNPC1
SCHEMBL2740726 0.84 TSHR (0.42) LMNATSHRMAPK10HTTCA1
SCHEMBL11647613 0.81 MAPK10 (0.47) LMNATSHRMAPK10HTTALDH1A1
SCHEMBL11557022 0.76 MAPK10 (0.47) LMNATSHRMAPK10HTTALDH1A1
SCHEMBL16503311 0.74 TSHR (0.50) LMNATSHRMAPK10HTTCA1
SCHEMBL13730168 0.74 CA1 (0.45) LMNATSHRMAPK10HTTCA1
SCHEMBL12318023 0.72 CYP2C9 (0.43) LMNATSHRALDH1A1NPC1USP2
SCHEMBL892413 0.72 MIF (0.76) LMNATSHRHTTCA1CA2
SCHEMBL11394124 0.72 F10 (0.45) HTTALDH1A1L3MBTL1SMN1; SMN2PPARG
SCHEMBL11474972 0.71 S1PR1 (0.52) LMNATSHRMAPK10HTTCA1

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-4129568-A 2-[3-Aryl-2-isoxazolin-5-yl]benzoates MONSANTO COMPANY (US) 1978-12-12 — — US disclosed
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