SCHEMBL19979899

SCHEMBL19979899

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1cnc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SCN10A Q9Y5Y9 6/20 0.38
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAP3K5 Q99683 1/20 0.30
MALT1 Q9UDY8 2/20 0.30
SLC2A1 P11166 2/20 0.30
SLC2A2 P11168 2/20 0.30
SLC2A3 P11169 2/20 0.30
SLC2A4 P14672 1/20 0.30

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
SCHEMBL19979874 0.87 POLB (0.43) POLBSCN10AGAALMNACYP1A2
SCHEMBL19979901 0.87 POLB (0.43) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980129 0.86 POLB (0.47) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980201 0.86 POLB (0.45) POLBSCN10AGAALMNACYP1A2
SCHEMBL19979900 0.86 POLB (0.43) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980130 0.84 POLB (0.41) POLBSCN10AGAALMNA
SCHEMBL19980177 0.84 POLB (0.41) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980203 0.84 POLB (0.41) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980110 0.80 POLB (0.44) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980213 0.80 POLB (0.44) POLBSCN10AGAALMNACYP1A2

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