SCHEMBL19980129

SCHEMBL19980129

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE11A Q9HCR9 1/20 0.33

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 0.89 POLB (0.43) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19979901 0.89 POLB (0.43) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19980201 0.89 POLB (0.45) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19979900 0.89 POLB (0.43) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19980177 0.87 POLB (0.41) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19980130 0.87 POLB (0.41) POLBGAALMNASCN10APDE4A
SCHEMBL19979899 0.86 POLB (0.41) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19979924 0.83 POLB (0.47) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19980200 0.83 POLB (0.47) POLBCYP2C9CYP1A2HPGDCYP2C19
SCHEMBL19979836 0.83 POLB (0.47) POLBCYP2C9CYP1A2HPGDCYP2C19

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