SCHEMBL21796228

SCHEMBL21796228

CCS(=O)(=O)c1cc(C)c(C(=O)O)nc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.31
▸ EGLN1 Q9GZT9 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
SCHEMBL21796227 0.85 — —
SCHEMBL31003482 0.84 EGLN1 (0.35) ACSS2EGLN1
SCHEMBL21796229 0.83 POLB (0.30) EGLN1
SCHEMBL21999181 0.81 CNR2 (0.31) —
SCHEMBL21998968 0.80 DDR1 (0.30) ACSS2
SCHEMBL29774751 0.80 CNR2 (0.32) ACSS2
SCHEMBL21931657 0.80 CNR2 (0.32) ACSS2
SCHEMBL31003480 0.80 — —
SCHEMBL21998969 0.79 CNR2 (0.31) —
SCHEMBL21796209 0.79 DDR1 (0.31) —

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
EP-3619213-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2020-03-11 — — EP disclosed
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