SCHEMBL22144129

SCHEMBL22144129

O=S(=O)(O)CC[n+]1cc(C2CC2)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ GBA1 P04062 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
SCHEMBL28614875 0.67 — —
SCHEMBL28626091 0.62 KDM4E (0.33) POLB
SCHEMBL22345501 0.60 POLB (0.37) POLB
SCHEMBL22345500 0.59 KDM4E (0.38) POLB
SCHEMBL22144264 0.59 KDM4E (0.49) POLBTSHR
SCHEMBL29392938 0.59 MAPT (0.54) CAMKK1CAMKK2TSHR
SCHEMBL17075123 0.59 MAPT (0.54) CAMKK1CAMKK2TSHR
SCHEMBL22345519 0.57 — —
SCHEMBL22424945 0.57 TP53 (0.44) CAMKK1CAMKK2TSHR
SCHEMBL22408885 0.57 TP53 (0.44) CAMKK1CAMKK2TSHR

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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