SCHEMBL10242565

SCHEMBL10242565

CCC/C=N/Nc1nc(Nc2ccc(Cl)cc2)nc(-c2c(F)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
SLC2A1 P11166 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TYK2 P29597 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
APP P05067 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH3 Q9ULD8 2/20 0.34
DDX3X O00571 1/20 0.34
GLO1 Q04760 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL416341 1.00 NR1I2 (0.39) NR1I2AHRSLC2A1CA12CA1
SCHEMBL416340 1.00 NR1I2 (0.39) NR1I2AHRSLC2A1CA12CA1
SCHEMBL415554 0.85 SLC2A1 (0.46) SLC2A1CA12CA1CA2CA9
SCHEMBL415553 0.85 SLC2A1 (0.46) SLC2A1CA12CA1CA2CA9
SCHEMBL417657 0.83 CA12 (0.48) SLC2A1CA12CA1CA2CA9
SCHEMBL417656 0.83 CA12 (0.48) SLC2A1CA12CA1CA2CA9
SCHEMBL17836760 0.81 TYK2 (0.37) NR1I2AHRTYK2MEN1KMT2A
SCHEMBL430442 0.79 CHRNA7 (0.46) SLC2A1TYK2
SCHEMBL413720 0.78 CA12 (0.48) SLC2A1CA12CA1CA2CA9
SCHEMBL416427 0.78 CA12 (0.48) SLC2A1CA12CA1CA2CA9

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-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 WO disclosed