SCHEMBL21835458

SCHEMBL21835458

Cc1ccc2ccccc2c1-c1c(Cl)c(Cl)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ PTPN11 Q06124 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
SCHEMBL29383185 1.00 HSD11B1 (0.38) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL25202984 0.87 HPGD (0.38) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL21835554 0.85 RAB9A (0.41) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL29383170 0.85 RAB9A (0.41) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL21835495 0.85 NPBWR1 (0.41) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL29382816 0.85 NPBWR1 (0.41) HSD11B1RAB9ASMN1; SMN2NPC1CDK8
SCHEMBL28920891 0.78 NPC1 (0.48) HSD11B1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL29761324 0.78 SMN1; SMN2 (0.37) SMN1; SMN2HPGDNPBWR1MEN1KMT2A
Morpholine SCHEMBL28609463 0.77 ATM (0.36) HSD11B1SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL31154089 0.76 SMN1; SMN2 (0.43) HSD11B1RAB9ASMN1; SMN2NPC1TSHR

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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