SCHEMBL3399047

SCHEMBL3399047

Cn1cc(OC(=O)O)c(C(F)Cl)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.31
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 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
SCHEMBL3258070 0.87 PDE10A (0.32) PDE10AGLAKMT2A
SCHEMBL1136291 0.87 GAA (0.31) GAA
SCHEMBL3402435 0.82 GAA (0.34) GAA
SCHEMBL16106085 0.81 ADORA2A (0.34) KMT2A
SCHEMBL1135830 0.76 IRAK4 (0.33) GLAKMT2AGAA
SCHEMBL460661 0.76 LMNA (0.34) GAA
SCHEMBL27753360 0.74 CYP4F2 (0.34) GAA
SCHEMBL2576002 0.73 IRAK4 (0.33) GAA
SCHEMBL1015004 0.73 KMT2A (0.36) GLAKMT2AGAA
SCHEMBL1396811 0.73 KDM4E (0.36) GLAKMT2AGAA

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-2057126-B1 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed