SCHEMBL9705637

SCHEMBL9705637

N#C/C(N)=C(C#N)/N=C/c1ncn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 5/20 0.33
GABRD O14764 5/20 0.33
GABRA1 P14867 5/20 0.33
GABRB1 P18505 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA2 P47869 5/20 0.33

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
SCHEMBL9705645 1.00 MAPT (0.38) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9704886 0.78 GABRB3 (0.37) MAPTGAAGABRPGABRDGABRA1
SCHEMBL9704881 0.78 GABRB3 (0.37) MAPTGAAGABRPGABRDGABRA1
SCHEMBL9502950 0.78 GAA (0.38) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9502946 0.78 GAA (0.38) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9703357 0.78 GAA (0.40) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9216905 0.78 GAA (0.40) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9703353 0.78 GAA (0.40) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9500624 0.78 GAA (0.40) MAPTGAAMEN1NPC1RAB9A
SCHEMBL9218561 0.77 GAA (0.39) MAPTGAAMEN1NPC1RAB9A

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-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed