SCHEMBL22345481

SCHEMBL22345481

CCOP(=O)(O)CCc1c[n+](C)nc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ NR1I2 O75469 2/20 0.34
▸ CETP P11597 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ 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
Trifluoroacetic Acid SCHEMBL22345475 0.90 TBXAS1 (0.34) TBXAS1PPARDCETP
SCHEMBL22345536 0.90 NR1I2 (0.37) TBXAS1PPARDNR1I2CETPMEN1
Iodide SCHEMBL22345422 0.86 NPY5R (0.35) PPARDNR1I2MEN1KMT2AKDM4E
SCHEMBL22345526 0.80 NPY5R (0.43) NR1I2MEN1KMT2AKDM4ELMNA
Iodide SCHEMBL22345589 0.79 NPY5R (0.42) NR1I2MEN1KMT2AKDM4ELMNA
SCHEMBL22345476 0.79 NPY5R (0.32) NPY5R
SCHEMBL22345375 0.77 ACP3 (0.47) —
Iodide SCHEMBL22345479 0.72 KMT2A (0.34) NR1I2MEN1KMT2AKDM4ELMNA
SCHEMBL28634474 0.72 HDAC6 (0.46) POLBNPSR1
Hydrochloric Acid SCHEMBL22345579 0.70 HDAC6 (0.45) POLBNPSR1

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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