SCHEMBL19979900

SCHEMBL19979900

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
SCN10A Q9Y5Y9 5/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR3C1 P04150 1/20 0.32
MAP3K5 Q99683 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NTRK1 P04629 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) POLBGAALMNASCN10ACYP1A2
SCHEMBL19979874 0.89 POLB (0.43) POLBGAALMNASCN10ACYP1A2
SCHEMBL19980201 0.89 POLB (0.45) POLBGAALMNASCN10ACYP1A2
SCHEMBL19980129 0.89 POLB (0.47) POLBGAALMNASCN10ACYP1A2
SCHEMBL19980130 0.87 POLB (0.41) POLBGAALMNASCN10ANR3C1
SCHEMBL19980177 0.87 POLB (0.41) POLBGAALMNASCN10ACYP1A2
SCHEMBL19979899 0.86 POLB (0.41) POLBGAALMNASCN10ACYP1A2
SCHEMBL19979927 0.83 POLB (0.43) POLBGAALMNASCN10ACYP1A2
SCHEMBL19980110 0.82 POLB (0.44) POLBGAALMNASCN10ACYP1A2
SCHEMBL19980213 0.82 POLB (0.44) POLBGAALMNASCN10ACYP1A2

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