SCHEMBL19979920

SCHEMBL19979920

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1cc(I)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
SCN10A Q9Y5Y9 4/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
STING1 Q86WV6 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
SCHEMBL19980107 0.90 POLB (0.43) POLBLMNAGAASCN10APDE4A
SCHEMBL19979927 0.89 POLB (0.43) POLBLMNAGAASCN10APDE4A
SCHEMBL19979924 0.89 POLB (0.47) POLBLMNAGAASCN10APDE4A
SCHEMBL19980216 0.88 POLB (0.41) POLBLMNAGAASCN10APDE4A
SCHEMBL19979963 0.83 POLB (0.47) POLBLMNAGAASCN10A
SCHEMBL19980213 0.83 POLB (0.44) POLBLMNAGAASCN10APDE4A
SCHEMBL19979902 0.83 POLB (0.46) POLBLMNAGAASCN10A
SCHEMBL19979903 0.83 POLB (0.47) POLBLMNAGAASCN10ACYP1A2
SCHEMBL19980110 0.81 POLB (0.44) POLBLMNAGAASCN10APDE4A
SCHEMBL19979874 0.80 POLB (0.43) POLBLMNAGAASCN10ACYP1A2

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