SCHEMBL17836747

SCHEMBL17836747

Fc1cccc(Cl)c1-c1nc(NCc2ccc(Cl)cc2)nc(N/N=C/c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
ALK Q9UM73 1/20 0.38
P2RX7 Q99572 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2B P41595 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NPSR1 Q6W5P4 4/20 0.37

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
SCHEMBL415420 1.00 MAPT (0.42) MAPTHTTKMT2AMEN1NPC1
SCHEMBL418805 1.00 MAPT (0.42) MAPTHTTKMT2AMEN1NPC1
SCHEMBL10241400 0.90 EGFR (0.40) MAPTKMT2AMEN1NPC1MITF
SCHEMBL415597 0.90 EGFR (0.40) MAPTKMT2AMEN1NPC1MITF
SCHEMBL415596 0.90 EGFR (0.40) MAPTKMT2AMEN1NPC1MITF
SCHEMBL459932 0.90 MAPT (0.43) MAPTHTTKMT2AMEN1NPC1
SCHEMBL17836754 0.90 MAPT (0.43) MAPTHTTKMT2AMEN1NPC1
SCHEMBL412716 0.88 CHRNA7 (0.48) MAPTKMT2AMEN1NPC1MITF
SCHEMBL416309 0.88 MEN1 (0.40) MAPTHTTKMT2AMEN1NPC1
SCHEMBL10240649 0.88 MEN1 (0.40) MAPTHTTKMT2AMEN1NPC1

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