SCHEMBL21835495

SCHEMBL21835495

COc1c(Cl)nn(C)c(=O)c1-c1c(C)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.41
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ HPGD P15428 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
SCHEMBL29382816 1.00 NPBWR1 (0.41) NPBWR1MAPTSMN1; SMN2HSD11B1LMNA
SCHEMBL29386231 0.87 NPBWR1 (0.35) NPBWR1MAPTSMN1; SMN2LMNAMCHR1
SCHEMBL21835493 0.87 NPBWR1 (0.35) NPBWR1MAPTSMN1; SMN2LMNAMCHR1
SCHEMBL20522633 0.86 ALDH1A1 (0.41) NPBWR1MAPTSMN1; SMN2HSD11B1LMNA
SCHEMBL21835458 0.85 HSD11B1 (0.38) NPBWR1SMN1; SMN2HSD11B1RAB9AMEN1
SCHEMBL29383185 0.85 HSD11B1 (0.38) NPBWR1SMN1; SMN2HSD11B1RAB9AMEN1
SCHEMBL26163609 0.83 SMN1; SMN2 (0.40) NPBWR1SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL21835554 0.83 RAB9A (0.41) NPBWR1MAPTSMN1; SMN2HSD11B1MCHR1
SCHEMBL29383170 0.83 RAB9A (0.41) NPBWR1MAPTSMN1; SMN2HSD11B1MCHR1
SCHEMBL29761324 0.82 SMN1; SMN2 (0.37) NPBWR1MAPTSMN1; SMN2LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856723-A1 PYRIDAZINONE HERBICIDES AND PYRIDAZINONE INTERMEDIATES USED TO PREPARE A HERBICIDE FMC Corporation (US) 2021-08-04 — — EP disclosed
CN-113166075-A Pyridazinone herbicides and pyridazinone intermediates for the preparation thereof FMC公司 2021-07-23 — — CN disclosed
WO-2020069057-A1 PYRIDAZINONE HERBICIDES AND PYRIDAZINONE INTERMEDIATES USED TO PREPARE A HERBICIDE FMC CORPORATION (US) 2020-04-02 — — WO disclosed
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