SCHEMBL22144235

SCHEMBL22144235

COS(=O)(=O)OC[n+]1ccc2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL22144117 0.84 KDM4E (0.33) KDM4ERAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL22124890 0.82 ACHE (0.33) KDM4EPOLBALDH1A1ACHE
SCHEMBL22144116 0.78 KDM4E (0.32) KDM4ERAB9APOLBALDH1A1HPGD
SCHEMBL22125138 0.75 KDM4E (0.35) KDM4ERAB9AALDH1A1NPC1ACHE
SCHEMBL22144208 0.73 ALDH1A1 (0.30) POLBALDH1A1
SCHEMBL22144254 0.72 BCHE (0.33) KDM4ERAB9APOLBALDH1A1
SCHEMBL22144249 0.72 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
Bromide SCHEMBL22124893 0.71 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL22124895 0.70 ALDH1A1 (0.43) KDM4ERAB9APOLBALDH1A1NPC1
SCHEMBL28921608 0.69 ALDH1A1 (0.35) KDM4ERAB9APOLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO disclosed
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