SCHEMBL21742387

SCHEMBL21742387

FC(F)(F)C(Cl)(c1ccccn1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
GRM5 P41594 2/20 0.34
GAA P10253 1/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 4/20 0.33
AHR P35869 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
NR1I2 O75469 1/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21742385 0.97 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742086 0.93 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742186 0.80 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742376 0.79 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742368 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742432 0.77 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742369 0.76 NR1I2 (0.46) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742194 0.74 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742307 0.73 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM3CHRM2MEN1
SCHEMBL21742184 0.73 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A

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