SCHEMBL19979903

SCHEMBL19979903

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1nccn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.38
SCN10A Q9Y5Y9 5/20 0.37
GAA P10253 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MALT1 Q9UDY8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL19979963 0.85 POLB (0.47) POLBLMNASCN10AGAAHCRTR1
SCHEMBL19980176 0.85 POLB (0.44) POLBLMNASCN10AGAAMALT1
SCHEMBL19979902 0.85 POLB (0.46) POLBLMNASCN10AGAAHCRTR1
SCHEMBL19980213 0.83 POLB (0.44) POLBLMNASCN10AGAAHCRTR1
SCHEMBL19980132 0.83 POLB (0.44) POLBLMNASCN10AGAAMALT1
SCHEMBL19980215 0.83 POLB (0.44) POLBLMNASCN10AGAACYP1A2
SCHEMBL147094 0.83 LMNA (0.55) POLBLMNAGAACYP2C9
SCHEMBL19980107 0.83 POLB (0.43) POLBLMNASCN10AGAACYP1A2
SCHEMBL19979920 0.83 POLB (0.43) POLBLMNASCN10AGAACYP1A2
SCHEMBL19980199 0.82 POLB (0.45) POLBLMNASCN10AGAACYP1A2

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