SCHEMBL19980216

SCHEMBL19980216

CC(C)c1cnn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KCNT1 Q5JUK3 1/20 0.37
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
CBLB Q13191 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MAP3K5 Q99683 4/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL19979920 0.88 POLB (0.43) POLBGAALMNASCN10APDE4A
SCHEMBL19980107 0.88 POLB (0.43) POLBKCNT1GAALMNASCN10A
SCHEMBL19979927 0.87 POLB (0.43) POLBGAALMNASCN10ANPC1
SCHEMBL19979924 0.87 POLB (0.47) POLBGAALMNASCN10AMAPT
SCHEMBL19980213 0.81 POLB (0.44) POLBGAALMNASCN10AMAPT
SCHEMBL19979963 0.81 POLB (0.47) POLBGAALMNASCN10ANPC1
SCHEMBL19979902 0.81 POLB (0.46) POLBGAALMNASCN10A
SCHEMBL19979903 0.80 POLB (0.47) POLBGAALMNASCN10A
SCHEMBL19980110 0.79 POLB (0.44) POLBGAALMNACBLBSCN10A
SCHEMBL19980178 0.79 POLB (0.42) POLBGAALMNACBLBSCN10A

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-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed