SCHEMBL23398242

SCHEMBL23398242

Cc1cc(C)c2oc(C)c(-c3c(CC(C)(C)C(=O)O)c(C)nn(C)c3=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATM Q13315 1/20 0.33
▸ CSNK2A2 P19784 6/20 0.31
▸ CSNK2B P67870 6/20 0.31
▸ CSNK2A1 P68400 6/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ SLC22A12 Q96S37 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
SCHEMBL23398238 0.84 KDM4E (0.35) KDM4EL3MBTL1ATMMEN1KMT2A
SCHEMBL17224781 0.78 CSNK2A2 (0.41) ATMCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL17224769 0.77 ATM (0.34) ATMCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL17224767 0.75 ATM (0.35) KDM4EATMCSNK2A2CSNK2BCSNK2A1
SCHEMBL23398251 0.67 CSNK2A2 (0.36) ATMCSNK2A2CSNK2BCSNK2A1MEN1
SCHEMBL17224744 0.63 MCL1 (0.36) KDM4EMAPT
SCHEMBL17224772 0.61 MAPT (0.48) KDM4EATMCSNK2A2CSNK2BCSNK2A1
SCHEMBL17224770 0.61 ALDH1A1 (0.32) KDM4EL3MBTL1ATMMEN1KMT2A
SCHEMBL17224763 0.60 KDM4E (0.37) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL17224757 0.60 NQO1 (0.42) KDM4EATMCSNK2A2CSNK2BCSNK2A1

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-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 — — EP claimed
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