SCHEMBL19980215

SCHEMBL19980215

Cc1nccn1-c1nc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
SCN10A Q9Y5Y9 4/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL19980178 0.87 POLB (0.42) POLBGAALMNASCN10AF2
SCHEMBL19980199 0.87 POLB (0.45) POLBGAALMNASCN10ACYP2C9
SCHEMBL19979902 0.84 POLB (0.46) POLBGAALMNASCN10A
SCHEMBL19979903 0.83 POLB (0.47) POLBGAALMNASCN10ACYP2C9
SCHEMBL19979836 0.82 POLB (0.47) POLBGAALMNASCN10ACYP2C9
SCHEMBL19979963 0.82 POLB (0.47) POLBGAALMNASCN10A
SCHEMBL19980127 0.82 POLB (0.44) POLBGAALMNASCN10ACYP2C9
SCHEMBL19980176 0.82 POLB (0.44) POLBGAALMNASCN10ACYP2C9
SCHEMBL19980132 0.82 POLB (0.44) POLBGAALMNASCN10AALDH1A1
SCHEMBL19980110 0.82 POLB (0.44) POLBGAALMNASCN10ACYP2C9

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