SCHEMBL19980201

SCHEMBL19980201

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SCN10A Q9Y5Y9 5/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
STING1 Q86WV6 1/20 0.32
GCK P35557 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAP3K5 Q99683 1/20 0.32
CHRM4 P08173 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
SCHEMBL19979901 0.89 POLB (0.43) POLBSCN10AGAALMNAALDH1A1
SCHEMBL19979874 0.89 POLB (0.43) POLBSCN10AGAALMNACYP1A2
SCHEMBL19979900 0.89 POLB (0.43) POLBSCN10AGAALMNAALDH1A1
SCHEMBL19980129 0.89 POLB (0.47) POLBSCN10AGAALMNAALDH1A1
SCHEMBL19980130 0.87 POLB (0.41) POLBSCN10AGAALMNASTING1
SCHEMBL19980177 0.87 POLB (0.41) POLBSCN10AGAALMNAALDH1A1
SCHEMBL19979899 0.86 POLB (0.41) POLBSCN10AGAALMNACYP1A2
SCHEMBL19980110 0.82 POLB (0.44) POLBSCN10AGAALMNASTING1
SCHEMBL19980213 0.82 POLB (0.44) POLBSCN10AGAALMNAALDH1A1
SCHEMBL19979902 0.82 POLB (0.46) POLBSCN10AGAALMNA

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