SCHEMBL21835554

SCHEMBL21835554

COc1nn(C)c(=O)c(-c2c(C)ccc3ccccc23)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ NPBWR1 P48145 3/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KAT2B Q92831 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ BRD7 Q9NPI1 1/20 0.35
▸ CDK8 P49336 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL29383170 1.00 RAB9A (0.41) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL18528469 0.86 NPC1 (0.40) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL30576375 0.86 NPC1 (0.40) RAB9ANPC1PAX8NPBWR1MCHR1
SCHEMBL21835458 0.85 HSD11B1 (0.38) RAB9ANPC1NPBWR1HSD11B1SMN1; SMN2
SCHEMBL29383185 0.85 HSD11B1 (0.38) RAB9ANPC1NPBWR1HSD11B1SMN1; SMN2
SCHEMBL29382816 0.83 NPBWR1 (0.41) RAB9ANPC1NPBWR1MCHR1MAPT
SCHEMBL21835495 0.83 NPBWR1 (0.41) RAB9ANPC1NPBWR1MCHR1MAPT
SCHEMBL25202984 0.78 HPGD (0.38) RAB9ANPC1MAPTHSD11B1SMN1; SMN2
SCHEMBL21835475 0.75 MAPT (0.45) RAB9ANPC1NPBWR1MAPTHSD11B1
SCHEMBL29384915 0.75 MAPT (0.45) RAB9ANPC1NPBWR1MAPTHSD11B1

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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