SCHEMBL21742014

SCHEMBL21742014

CCC(C)(OC)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 2/20 0.42
AHR P35869 2/20 0.42
BLM P54132 1/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC6 Q9UBN7 5/20 0.38
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.35
CETP P11597 3/20 0.34

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
SCHEMBL7444584 0.87 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742075 0.85 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742083 0.84 CHRM2 (0.44) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742250 0.83 CYP2D6 (0.40) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742176 0.81 AHR (0.42) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL20099948 0.81 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742046 0.80 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742264 0.79 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742072 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742326 0.78 BLM (0.43) SMN1; SMN2L3MBTL1CHRM2AHRBLM

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed