SCHEMBL19980178

SCHEMBL19980178

CC(C)c1nccn1-c1nc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
MAP3K5 Q99683 3/20 0.35
GAA P10253 1/20 0.35
SCN10A Q9Y5Y9 5/20 0.34
LMNA P02545 1/20 0.34
CBLB Q13191 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL19980215 0.87 POLB (0.44) POLBF2F10GAASCN10A
SCHEMBL19979902 0.81 POLB (0.46) POLBGAASCN10ALMNA
SCHEMBL19979903 0.81 POLB (0.47) POLBGAASCN10ALMNACYP2C9
SCHEMBL19980199 0.81 POLB (0.45) POLBGAASCN10ALMNACYP2C9
SCHEMBL19979836 0.80 POLB (0.47) POLBGAASCN10ALMNACYP2C9
SCHEMBL19979963 0.80 POLB (0.47) POLBGAASCN10ALMNA
SCHEMBL19980132 0.80 POLB (0.44) POLBGAASCN10ALMNA
SCHEMBL19980216 0.79 POLB (0.41) POLBMAP3K5GAASCN10ALMNA
SCHEMBL19980110 0.78 POLB (0.44) POLBGAASCN10ALMNACBLB
SCHEMBL19980176 0.78 POLB (0.44) POLBGAASCN10ALMNACBLB

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