SCHEMBL24252213

SCHEMBL24252213

CCOC1OC(=O)C=C1c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 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
SCHEMBL24252376 0.82 CLK4 (0.31)
SCHEMBL24252212 0.76 CTDSP1 (0.33) ALDH1A1THRBMAPK1POLB
SCHEMBL24252406 0.76 CYP2D6 (0.37)
SCHEMBL8871735 0.71 ALDH1A1 (0.38) ALDH1A1THRBMAPK1POLB
SCHEMBL24252214 0.71
SCHEMBL12031151 0.69 ALDH1A1 (0.34) ALDH1A1THRBMAPK1POLB
SCHEMBL13952783 0.69 ALDH1A1 (0.34) ALDH1A1THRBMAPK1POLB
SCHEMBL24252372 0.69 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL24252371 0.69
SCHEMBL16381859 0.64 ALDH1A1 (0.33) ALDH1A1THRBMAPK1POLB

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-2022034203-A1 PROCESS FOR THE PREPARATION OF PYRIDAZINONE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 WO disclosed