SCHEMBL22345529

SCHEMBL22345529

CCOP(=O)([O-])c1c[n+](C(C)(C)C)nc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL22557730 0.69 MAPT (0.32) —
SCHEMBL22345432 0.68 POLB (0.31) —
Iodide SCHEMBL22345479 0.67 KMT2A (0.34) MEN1KMT2ANR1I2KDM4ELMNA
SCHEMBL22345540 0.65 — —
SCHEMBL22345468 0.65 — —
SCHEMBL22345526 0.64 NPY5R (0.43) MEN1KMT2ANR1I2KDM4ELMNA
SCHEMBL22345365 0.64 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1NPSR1
Iodide SCHEMBL22345589 0.63 NPY5R (0.42) MEN1KMT2ANR1I2KDM4ELMNA
SCHEMBL22345536 0.63 NR1I2 (0.37) MEN1KMT2ANR1I2KDM4ELMNA
SCHEMBL22345428 0.61 DDAH1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924344-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
WO-2020164970-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
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