SCHEMBL459932

SCHEMBL459932

FC(F)(F)Oc1ccc(C=NNc2nc(NCc3ccc(Cl)cc3)cc(-c3ccccc3)n2)cc1.Fc1cccc(Cl)c1-c1nc(NCc2ccc(Cl)cc2)nc(NN=Cc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
HTT P42858 3/20 0.43
GPR39 O43194 4/20 0.42
VCP P55072 4/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.37
ADORA2A P29274 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL17836754 1.00 MAPT (0.43) MAPTHTTGPR39VCPLMNA
SCHEMBL415420 0.90 MAPT (0.42) MAPTHTTLMNAKMT2AMEN1
SCHEMBL418805 0.90 MAPT (0.42) MAPTHTTLMNAKMT2AMEN1
SCHEMBL17836747 0.90 MAPT (0.42) MAPTHTTLMNAKMT2AMEN1
SCHEMBL416423 0.89 MAPT (0.51) MAPTHTTGPR39VCPLMNA
SCHEMBL17836751 0.89 MAPT (0.51) MAPTHTTGPR39VCPLMNA
SCHEMBL415522 0.89 MAPT (0.51) MAPTHTTGPR39VCPLMNA
SCHEMBL415597 0.81 EGFR (0.40) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10241400 0.81 EGFR (0.40) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL415596 0.81 EGFR (0.40) MAPTLMNAKMT2AMEN1SMN1; SMN2

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
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed