SCHEMBL24252212

SCHEMBL24252212

CCOC1OC(=O)C=C1c1cccnn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
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
SCHEMBL24252375 0.85 CYP2C8 (0.31)
SCHEMBL24252406 0.76 CYP2D6 (0.37)
SCHEMBL24252213 0.76 ALDH1A1 (0.33) ALDH1A1THRBMAPK1POLB
SCHEMBL24252215 0.75 PRMT5 (0.32) PRMT5WDR77
SCHEMBL24252373 0.74 HDAC4 (0.33) ALDH1A1MAPK1PRMT5WDR77
SCHEMBL24252217 0.73
SCHEMBL24252374 0.68 ROCK2 (0.32) PRMT5WDR77
SCHEMBL24252370 0.67 ROCK2 (0.34) PRMT5WDR77
SCHEMBL24252229 0.66 LRRK2 (0.35)
SCHEMBL8871735 0.66 ALDH1A1 (0.38) 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