SCHEMBL19980203

SCHEMBL19980203

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1ccc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SCN10A Q9Y5Y9 3/20 0.40
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MALT1 Q9UDY8 2/20 0.31
NTRK1 P04629 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
SCHEMBL19980110 0.87 POLB (0.44) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19979899 0.84 POLB (0.41) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19979902 0.82 POLB (0.46) POLBSCN10ALMNAGAAHCRTR1
SCHEMBL19979963 0.81 POLB (0.47) POLBSCN10ALMNAGAAHCRTR1
SCHEMBL19979874 0.80 POLB (0.43) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19979901 0.80 POLB (0.43) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19980201 0.79 POLB (0.45) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19979900 0.79 POLB (0.43) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19980129 0.79 POLB (0.47) POLBSCN10ALMNACYP1A2CYP2C9
SCHEMBL19980213 0.79 POLB (0.44) POLBSCN10ALMNACYP1A2CYP2C9

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