SCHEMBL21835493

SCHEMBL21835493

COc1c(Cl)nn(C)c(=O)c1-c1c(C)ccc2ccc(C)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ TYMS P04818 1/20 0.32

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
SCHEMBL29386231 1.00 NPBWR1 (0.35) NPBWR1MCHR1ALDH1A1KMT2ATP53
SCHEMBL29058622 0.90 ALDH1A1 (0.36) NPBWR1MCHR1ALDH1A1KMT2ATP53
SCHEMBL29382816 0.87 NPBWR1 (0.41) NPBWR1MCHR1ALDH1A1KMT2ALMNA
SCHEMBL21835495 0.87 NPBWR1 (0.41) NPBWR1MCHR1ALDH1A1KMT2ALMNA
SCHEMBL26163608 0.84 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL21835397 0.83 MEN1 (0.33) ALDH1A1KMT2ATP53LMNANPC1
SCHEMBL29443524 0.83 MEN1 (0.33) ALDH1A1KMT2ATP53LMNANPC1
SCHEMBL29058598 0.83 LMNA (0.32) ALDH1A1KMT2ATP53LMNAMAPT
SCHEMBL28615978 0.76 ALDH1A1 (0.38) NPBWR1MCHR1ALDH1A1KMT2ALMNA
SCHEMBL28612147 0.75 ALDH1A1 (0.39) NPBWR1MCHR1ALDH1A1KMT2ALMNA

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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