SCHEMBL21742086

SCHEMBL21742086

FC(F)(F)C(Cl)(c1ccccn1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.35
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
AVPR1A P37288 1/20 0.32
CHRM2 P08172 1/20 0.31
GRIN2B Q13224 2/20 0.31
HSD11B1 P28845 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 0.93 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1
SCHEMBL21742387 0.93 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1
SCHEMBL21742184 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1
SCHEMBL21742357 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRMEN1KMT2A
SCHEMBL21742121 0.75 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1AHRLMNA
SCHEMBL21742129 0.75 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1AHRLMNA
SCHEMBL10354999 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRMEN1LMNA
SCHEMBL10354472 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1
SCHEMBL21742432 0.72 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1
SCHEMBL21742186 0.72 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1ALDH1A1AHRMEN1

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